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n-Butyl isocyanate / Butyl isocyanate cas no 111-36-4

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CAS No.:

111-36-4

Grade:

Industrial Grade

Content:

99%

Port:

qingdao

Brand:

hly

Packaging:

Colorless transparent liquid with pungent odor

Price valid (until):

2027-02-28

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Suqian City Hengliyuan Import and Export Trade Co., LTD

Company Type:

Trader

Location:

China

Payment Terms:

TT against B/L draft before shipment,100% TT in advance

Average Lead Time:

30 days

Qualification:

Main Products:

Acrylonitrile,Sodium biselenite methylamine solution,Methylamine [anhydrous],Zinc dust,Hydrogen peroxide solution [content >8%],Triisopropyl borate

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Product Description
Seller Information
Inquiry History

Description

Company Profile ----------
Suqian City Hengliyuan Import and Export Trade Co., LTD is a trading company. The company has introduced advanced scientific and technological achievements from home and abroad, and has superior products from well-known manufacturers at home and abroad. The basic functions are:
1. Domestic trade of various chemical raw materials;
2. Providing price information services and chemical raw material procurement for industrial enterprises;
3. Cooperating with Chinese state-owned enterprise factories, the price and quality are very advantageous.
At present, the company is relying on the combination of industry and trade and global procurement to steadily improve the company's value-added ability and compound competitiveness. We have always been committed to producing high-quality and low-cost goods, so we have been sincerely recognized by many customers. Our goal is to produce the best products and satisfy every customer with professional services and attitudes. We look forward to cooperating with you and establishing a win-win relationship with you. Please rest assured that we will definitely satisfy you.

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----------Our Advantages---------
High quality with competitive price
1) Standard:BP/USP/EP/Enterprise standard
2) All Purity≥99%
3) We can provide high quality products with factory price
2. Fast delivery
1) Fast shipment.Various transportation methods for your choice.
2) We have our own agent/remailer/distributor who can help us ship our products very fast , and we have stock in the ir for transferring.
3. Good communication and credit
1) Fast response to customer within 5 hours
2) Good business credit in Europe, US, Japan, Korea, Af r ica and so on.

Complete Detailed Product Specification – n-Butyl Isocyanate (CAS 111-36-4)

1. Basic Identification Information

CAS No.: 111-36-4

Chemical Name: n-Butyl isocyanate

IUPAC Name: Isocyanatobutane

Synonyms: Butyl isocyanate, 1-isocyanatobutane, n-BIC

EINECS No.: 203-867-6

MDL No.: MFCD00002047

Molecular Formula: C₅H₉NO

Structural Formula: CH₃CH₂CH₂CH₂-N=C=O

Molecular Weight: 99.13

SMILES: CCCCN=C=O

UN Number: UN 2485

HS Code: 29291090

Hazard Classification: Class 6.1 Toxic + Class 3 Flammable Liquid + Class 8 Corrosive Substance, Packing Group II

Chemical Category: Aliphatic monoisocyanate, high-activity acylation & urethane synthesis intermediate

2. Physical & Chemical Properties

Appearance

Colorless transparent mobile oily liquid with strong sharp irritating pungent odor; extremely fuming in humid air, instantly generates white mist from reaction with water vapor.

Core Physical Constant Table

Parameter	Standard Value	Remarks
Melting Point	-76 ℃	Low freezing point, no crystallization under normal storage
Boiling Point	114–116 ℃ (760 mmHg)	Distillable under normal pressure
Density (20 ℃)	0.880–0.884 g/mL	Lighter than water
Refractive Index n₂₀/D	1.406–1.408
Closed Cup Flash Point	26 ℃	Highly flammable, Class 3 flammable liquid
Autoignition Temperature	420 ℃
Explosion Limit in Air (V/V)	1.2% ~ 9.5%	Wide explosive range
Vapor Pressure (20 ℃)	18 mmHg	Highly volatile, toxic vapor easily spreads
Solubility in Water	Instant violent exothermic reaction, cannot dissolve	Reacts to produce n-butylamine + CO₂
Organic Solvent Solubility	Fully miscible with anhydrous toluene, xylene, dichloromethane, ethyl acetate, acetone, anhydrous ether; strictly incompatible with alcohol, amine, water-containing solvents
pH after hydrolysis	Strongly alkaline

Key Chemical Characteristics

Ultra-active isocyanate group (-NCO), core characteristic reaction:
- Reaction with alcohol → Urethane (carbamate)
- Reaction with primary/secondary amine → Urea derivatives
- Reaction with water (even trace moisture) → Amine + carbon dioxide, severe foaming, heat release
- Reaction with carboxylic acid → Amide + CO₂
Self-polymerization risk under heating or trace alkali catalyst, generates butyl isocyanate dimer/trimer, causing viscosity rise and solid precipitation.
Strong irritant & corrosive: Vapor severely damages respiratory tract, eyes, mucous membranes; liquid causes blistering chemical burns on skin.
Light & heat sensitive; long-term storage needs nitrogen sealing, low temperature to slow polymerization and discoloration.
Incompatibility list: Water, alcohols, amines, strong acids, strong alkalis, reducing agents, metal oxides.

3. Export Industrial Quality Standard (Premium Grade ≥99.0%)

Test Item	Standard Spec	Test Detection Method
n-Butyl isocyanate Purity	≥99.0 %	GC Gas Chromatography
Free n-Butylamine Impurity	≤0.10 %	GC / Acid-base titration
Hydrolysis Residue (Urea dimer)	≤0.30 %	GC
Moisture Content	≤50 ppm	Karl Fischer Titration (strictly anhydrous detection environment)
Color (APHA/Hazen)	≤30	Platinum-Cobalt Colorimetry
Distillation Range (113–117 ℃)	≥95 vol%	Distillation Test
Appearance	Colorless clear fuming liquid without suspended solids or turbidity	Visual Inspection

High-Purity Pharma Grade (≥99.5%)

Ultra-low amine and dimer impurities, moisture <20 ppm, nitrogen vacuum sealed packaging, exclusively for amino acid protection and heterocyclic API synthesis.

4. Main Industrial Application Fields

4.1 Pharmaceutical & Peptide Synthesis (High-value Core Application)

Amino group blocking reagent: Reacts with amino acid side chains to form butyl urea protecting group for multi-step solid-phase peptide synthesis, easily deprotected under acidic hydrolysis.
Heterocyclic drug intermediate: Build urea, imidazole, pyrimidine nitrogen-containing heterocyclic skeletons for antibacterial, anti-inflammatory and anti-tumor APIs.
Raw material for synthetic carbamate drug intermediates, pesticide pharmaceutical chiral resolution auxiliary.

4.2 Agrochemical Intermediates

Manufacture of urea herbicides, fungicides and insecticides; aliphatic butyl chain improves compound lipophilicity, enhances crop absorption efficiency.
Synthesis of pesticide synergist and plant growth regulator carbamate derivatives.

4.3 Fine Chemical Urethane & Polymer Raw Material

Monoisocyanate modifier for polyurethane resin, coating and adhesive; introduces flexible butyl segment to improve film flexibility and low-temperature resistance.
Raw material for blocked isocyanate crosslinker, used in single-component baking coatings.
Synthesis of organic synthesis catalysts, chelating agents via alcohol/amine addition reaction.

4.4 Laboratory Organic Synthesis Reagent

Universal N-acylation reagent for selective modification of hydroxyl and amino groups; widely used in total synthesis of complex natural products and biochemical labeling experiments.

4.5 Other Scenarios

Surfactant intermediate for water treatment bactericides;
Metal surface passivation auxiliary, anti-rust coating additive.

5. Safety, Packaging, Storage & Transportation Regulations

GHS Hazard Classification

Flammable Liquid Category 3
Acute Inhalation Toxicity Category 2
Skin Corrosion Category 1B, Serious Eye Damage Category 1
Specific Target Organ Toxicity Single Exposure Category 3 (respiratory tract)

Signal Word: Danger

Main Hazard Statements:

H226 Flammable liquid and vapor

H330 Fatal if inhaled

H314 Causes severe skin burns and eye damage

H335 May cause respiratory irritation

H290 May be corrosive to metals

H260 In contact with water releases flammable gases which may ignite spontaneously

Export Standard Packaging (Strictly Anhydrous Nitrogen Sealed)

Industrial bulk grade: 200L lined anti-corrosion steel drum, vacuum nitrogen filling inner seal to isolate moisture and air
Small trial order: 25L plastic-lined iron drum / 5L metal sealed can
Pharma high-purity grade: Aluminum foil vacuum inner bag + light-proof iron drum, low-moisture barrier packaging

Mandatory Storage Requirements

Independent Class A flammable toxic corrosive chemical warehouse, temperature controlled ≤25 ℃, full explosion-proof ventilation, negative pressure exhaust system.
Strictly sealed with nitrogen protection; completely isolated from water, alcohols, amines, edible raw materials, oxidants and strong acids.
Warehouse equipped with isocyanate gas leakage detector, full set of gas-proof respirators, acid/alkali resistant PPE, emergency eyewash station; water fire extinguishers are forbidden, only dry powder / CO₂ fire extinguishers allowed.
Shelf life: 6 months under sealed low-temperature nitrogen storage; re-test purity and NCO content once expired, discard if polymerization turbidity appears.

Sea & Land Transportation Rules

UN 2485, Triple hazard: Class3 flammable liquid + Class6.1 toxic substance + Class8 corrosive goods, Packing Group II

All packages must be fully waterproof and light-proof; prohibit loading/unloading in rainy humid environment to prevent drum leakage and moisture contact.
Strictly no mixed loading with water-containing chemicals, alcohols, amines, oxidants, food additives in one container.
Avoid direct sunlight and high-temperature stacking during transit; all vehicles must be explosion-proof with static grounding.
Complete export clearance documents: COA, MSDS, TDS, IMDG marine dangerous goods declaration, hazard classification certificate.

6. E-commerce Listing Copy (Directly Used for Alibaba / Echemi)

Product Title

n-Butyl Isocyanate n-BIC CAS 111-36-4 99% Colorless Fuming Liquid Isocyanate Intermediate for Pharmaceutical Peptide Synthesis Agrochemical Urethane Coating

Short Description

n-Butyl Isocyanate (C₅H₉NO, CAS 111-36-4) ≥99% anhydrous high-activity aliphatic monoisocyanate liquid, sensitive to moisture. Widely used as key intermediate for solid-phase peptide synthesis, heterocyclic pharmaceutical APIs, urea herbicides and polyurethane coating crosslinkers. Full set of dangerous goods export documents including COA, MSDS and TDS available for global bulk shipment.

Full Listing Description

n-Butyl Isocyanate (abbreviated n-BIC, CAS 111-36-4) is a high-reactivity aliphatic monoisocyanate supplied as colorless transparent fuming liquid with GC purity ≥99.0%. Its active -NCO group can undergo quantitative addition reaction with hydroxyl, amino groups to synthesize carbamate and urea derivatives, which are irreplaceable building blocks for fine chemical manufacturing.

Main downstream application sectors cover high-end pharmaceutical raw material and peptide amino-protecting reagent; agrochemical urea fungicide & herbicide intermediate; polyurethane flexible coating and single-component blocked isocyanate crosslinker; laboratory selective acylation synthesis reagent. We supply standard industrial grade and ultra-high purity pharmaceutical special grade with ultra-low moisture and amine impurities, packed under nitrogen to avoid hydrolysis during long sea transportation.

All products adopt nitrogen-sealed lined steel drums for full container shipment. Classified as UN2485 triple-hazard dangerous goods (flammable, toxic, corrosive), we provide complete official customs clearance certification documents to support global sea and land delivery with stable continuous mass supply capacity.

7. Printable Export COA Template

CERTIFICATE OF ANALYSIS

Product Name: n-Butyl Isocyanate (n-BIC)

CAS No.: 111-36-4

Grade: Export Premium Industrial Grade

Batch No.: ____________

Net Weight: 200kg/drum

Manufacture Date: ___________

Test Item	Standard Spec	Test Result	Test Method
n-Butyl Isocyanate Assay Purity	≥99.0 %		GC Gas Chromatography
Free n-Butylamine Impurity	≤0.10 %		GC Titration
Urea Dimer Hydrolysis Residue	≤0.30 %		GC
Moisture Content	≤50 ppm		Karl Fischer Titration
Color (APHA)	≤30		Platinum-Cobalt Colorimetry
Distillation Range (113–117℃)	≥95 vol%		Distillation Test
Appearance	Colorless clear fuming liquid without turbidity or sediment	Visual Inspection

Conclusion: This batch meets premium export industrial standard of n-Butyl Isocyanate.

Inspector Signature: ____________

Testing Date: ____________

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ECHEMI Editorial Reference

COLOURLESS LIQUID.
N-butyl isocyanate appears as a clear, colorless liquid with a pungent odor. Very toxic by ingestion, and may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Produces toxic oxides of nitrogen during combustion.|Liquid|COLOURLESS LIQUID.
N-butyl isocyanate appears as a clear, colorless liquid with a pungent odor. Very toxic by ingestion, and may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Produces toxic oxides of nitrogen during combustion.|N-butyl isocyanate is an isocyanate having a butyl group attached to the nitrogen. It has a role as an allergen.

Certificates

Basic Info

Product Name:

Butyl isocyanate

Other Name:

Butane,1-isocyanato-;Isocyanic acid,butyl ester;1-Isocyanatobutane;Butyl isocyanate;n-Butyl isocyanate

CAS No.:

111-36-4

Molecular Formula:

C5H9NO

InChIKeys:

InChIKey=HNHVTXYLRVGMHD-UHFFFAOYSA-N

Molecular Weight:

99.13

Exact Mass:

99.13

EC Number:

203-862-8

UNII:

XM89T89J3W

ICSC Number:

1642

UN Number:

2485

DSSTox ID:

DTXSID6026872

Color/Form:

Colorless liquid

HScode:

2929109000

Categories:

Alcohols, Phenols, Phenol Alcohols

Characteristics

PSA:

29.4

XLogP3:

2.26 (est)

Appearance:

Colorless Liquid

Density:

0.9 g/cm³

Melting Point:

<-70 °C

Boiling Point:

115 °C

Flash Point:

64 °F

Refractive Index:

1.429

Water Solubility:

Solubility in water: reaction

Storage Conditions:

2-8°C

Vapor Pressure:

10.6 mm Hg ( 20 °C)

Vapor Density:

3 (vs air)

Toxicity:

Oral-rat LD50: 600 mg/kg; Oral-Mouse LD50: 150 mg/kg

Flammability characteristics:

Flammable; thermal decomposition emits toxic nitrogen oxide fumes

Explosive limit:

vol% in air: 1.30

Henrys Law Constant:

Henry's Law constant = 2.2X10-3 atm-cu m/mol at 25 °C (est)

Experimental Properties:

Flammable liquid|Liquid molar volume = 0.112992 cu m/kmol|Hydroxyl radical reaction rate constant = 3.9X10-12 cu cm/molecule-sec at 25 °C (est)

Air and Water Reactions:

Highly flammable. Extremely slow decomposition by water. Less dense than water and insoluble in water.

Reactive Group:

Isocyanates and Isothiocyanates

Reactivity Alerts:

Highly Flammable

Reactivity Profile:

Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

Autoignition Temperature:

425 °C

Physical Dangers:

The vapour mixes well with air, explosive mixtures are easily formed.

See More Butyl isocyanate Properties 

Seller Information

Business Type:
Trader

Main Products:
Acrylonitrile,Sodium biselenite methylamine solution,Methylamine [anhydrous],Zinc dust,Hydrogen peroxide solution [content >8%],Triisopropyl borate

Location:
Shop No.15, 1st Floor, Building 12, Hengda Huafu, Sucheng District, Suqian City

Payment Terms:
TT against B/L draft before shipment,100% TT in advance

Average lead Time:
30 days

Total Annual Revenue:
Less than $1 million

Total Employees:
5-10

Year of Establishment:
2022
Company Overview

Suqian Hengliyuan Import and Export Corporation, Ltd. is a leading enterprise specializing in the international trade of chemical products. Established in Suqian, Jiangsu Province, China, our company has built a strong reputation for excellence and reliability in the chemical industry.

Our Mission

Our mission is to facilitate global trade by providing high-quality chemical products and exceptional service to our clients. We aim to be a bridge between manufacturers and end-users, ensuring the safe and efficient transfer of chemicals across borders.

Products and Services

We offer a comprehensive range of chemical products, including but not limited to:

Industrial Chemicals: Raw materials for various industries such as pharmaceuticals, agriculture, and manufacturing.

Specialty Chemicals: High-performance chemicals used in specific applications, including water treatment, coatings, and adhesives.

Bulk Chemicals: Large-volume chemicals for industrial processes and manufacturing needs.

Quality Assurance

At Suqian Hengliyuan Import and Export Corporation, Ltd., quality is our top priority. We adhere to stringent quality control measures and international standards to ensure that our products meet the highest levels of purity and performance. Our dedicated quality assurance team conducts rigorous inspections and testing to guarantee the integrity and safety of all our chemical products.

Global Network

Leveraging our extensive network of suppliers and partners, we are able to source and deliver a wide array of chemical products to clients worldwide. Our strategic partnerships and logistical expertise enable us to offer competitive pricing, timely delivery, and customized solutions to meet the diverse needs of our clients.

Commitment to Sustainability

We are committed to sustainable business practices and environmental stewardship. Our operations are designed to minimize environmental impact, and we continuously seek ways to improve our processes and reduce our carbon footprint. We work closely with our suppliers and customers to promote the responsible use and disposal of chemicals.

Customer Focus

Our clients are at the heart of everything we do. We pride ourselves on providing personalized service and building long-term relationships based on trust and mutual benefit. Our experienced team of professionals is dedicated to understanding our clients' needs and delivering solutions that exceed their expectations.

Inquiry History

3 Inquiries

Country	Product	Purchase Quantity	Date Posted
India	Butyl isocyanate	100 G	Oct 18, 2023
India	N-Butyl Isocyante	1 MT	Dec 5, 2023
United Kingdom	Butyl Isocyanate	1 MT	Apr 1, 2025

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n-Butyl isocyanate / Butyl isocyanate cas no 111-36-4

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