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2-Chlorotoluene95-49-8

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CAS No.:

95-49-8

Grade:

Pharmaceutical Grade

Content:

99.5%

Port:

上海

Brand:

OORENT

Packaging:

Vial/Bottle/Bag/Carton

Price valid (until):

2026-07-17

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Qingdao Orient Chemical Co.,LTD

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Trader

Location:

China

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pharmaceutical intermediates,peptides,electronic chemicals

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Product Description
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Inquiry History

Description

Product Detail

2-Chlorotoluene Basic information

Product Name:	2-Chlorotoluene
Synonyms:	1-chloro-2-methyl-benzen;2-Chloro-1-methylbenzene,o-tolylchloride;2-Chlortoluol;2-Methylchlorobenzene;1-Methyl-2-chlorobenzene;1-CHLORO-2-METHYLBENZENE;toluene,2-chloro-;Toluene,o-chloro-
CAS:	95-49-8
MF:	C7H7Cl
MW:	126.58
EINECS:	202-424-3
Product Categories:	hormones;Pesticides intermediate;Alphabetic;C;CH;Aryl;Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;C7;Halogenated Hydrocarbons;Alpha Sort;CAlphabetic;Volatiles/ Semivolatiles;Pesticides&Metabolites;Organics;Standard Solutions (VOC)
Mol File:	95-49-8.mol

2-Chlorotoluene Chemical Properties

Melting point	-36 °C (lit.)
Boiling point	157-159 °C (lit.)
density	1.083 g/mL at 25 °C (lit.)
vapor density	4.38 (vs air)
vapor pressure	10 mm Hg ( 43 °C)
refractive index	n20/D 1.525(lit.)
Fp	117 °F
storage temp.	0-6°C
solubility	H2O: slightly soluble0.047g/L at 20°C
form	Liquid
color	Clear
explosive limit	1.0-12.6%(V)
Water Solubility	slightly soluble
Merck	14,2171
BRN	1904175
Henry's Law Constant	2.2×10^-3 mol/(m³Pa) at 25℃, Brockbank (2013)
Dielectric constant	4.4500000000000002
Exposure limits	ACGIH: TWA 50 ppm NIOSH: TWA 50 ppm(250 mg/m3); STEL 75 ppm(375 mg/m3)
InChI	1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey	IBSQPLPBRSHTTG-UHFFFAOYSA-N
SMILES	Cc1ccccc1Cl
LogP	3.42 at 25℃
CAS DataBase Reference	95-49-8(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-chloro-2-methyl-(95-49-8)
EPA Substance Registry System	o-Chlorotoluene (95-49-8)

Safety Information

Hazard Codes	Xn,N,F,Xi,T
Risk Statements	20-51/53-39/23/24/25-23/24/25-11
Safety Statements	24/25-61-45-36/37-16-7
RIDADR	UN 2238 (CHLOROTOLUENES)
OEB	A
OEL	TWA: 50 ppm (250 mg/m3), STEL: 75 ppm (375 mg/m3)
WGK Germany	2
RTECS	XS9000000
Autoignition Temperature	600°C
Hazard Note	Irritant/Flammable
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29036990
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Inhalation Aquatic Acute 1 Aquatic Chronic 2 Flam. Liq. 3 Repr. 2
Hazardous Substances Data	95-49-8(Hazardous Substances Data)

MSDS Information

Provider	Language
1-Chloro-2-methylbenzene	English
SigmaAldrich	English
ACROS	English
ALFA	English

2-Chlorotoluene Usage And Synthesis

Description	2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12.
Chemical Properties	o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor.
Uses	Solvent and intermediate for organic chemicals and dyes. 2-Chlorotoluene is used for permanganate oxidation to give o-chlorobenzoic acid. It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. 2-Chlorotoluene can be used as a precursor to synthesize aryl coupling products via palladium-catalyzed Negishi cross-coupling. It can also be used in the Buchwald-Hartwig amination to synthesize arylamines.
Uses	Solvent; synthesis of dyes, pharmaceuticals, and synthetic rubber compounds
Preparation	The solution of cuprous chloride is cooled in an ice bath 0-5° C temperature. In this cold solution, the 2-methylbenzenediazonium is poured with constant shaking and allowing the mixture to come to room temperature. After about 10 minutes, the mixture gradually warmed with a good shaking.As the temperature rises the brown addition product begins to decompose with the evolution of nitrogen and with the formation of an oily layer of 2-chlorotoluene. When the decomposition reaction is at an end, the mixture is steam distilled, continuing the process only as long as oily droplets are present in the distillate, for the product is not appreciably soluble in water. The layer of 2-chlorotoluene is carefully separated and washed twice with an equal volume of concentrated sulfuric acid, which removes both the 2-cresol and the azo compound. Then 2-chlorotoluene is washed with water in order to remove the inorganic acid. Finally, 2-chlorotoluene is dried over calcium chloride, distilled, using an air condenser and collecting the product boiling at 153-158° C. Pure 2-chlorotoluene boils at 157° C. The yield is 25-30 g. Experiments in Organic Chemistry, L. F. Fieser, 216, 1941 Highly Selective Oxidative Monochlorination To Synthesize Organic Intermediates: 2-Chlorotoluene, 2-Chloroaniline, 2-Chlorophenol, and 2-Chloro-4-methylphenol
Synthesis Reference(s)	Journal of the American Chemical Society, 101, p. 768, 1979 DOI: 10.1021/ja00497a063 Organic Syntheses, Coll. Vol. 1, p. 170, 1941
General Description	Colorless liquid with an aromatic odor. Denser than water and poorly soluble in water. Hence sinks in water .
Air & Water Reactions	Slightly water soluble.
Reactivity Profile	2-Chlorotoluene may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Reacts violently with dimethyl sulfoxide .
Hazard	Toxic by inhalation. Eye, skin, and upper respiratory tract irritant.
Health Hazard	Inhalation of vapor may cause respiratory irrtation. Prolonged and repeated vapor exposures may produce systemic toxic effects.
Flammability and Explosibility	Flammable
Safety Profile	Moderately toxic by unspecified routes. Flammable when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl-. See also TOLE CHLORIDE and CHLORINATED HYDROCARBONS, AROMATIC.
Potential Exposure	o-Chlorotoluene is widely used as a solvent and intermediate in the synthesis of dyes, synthetic rubber; pharmaceuticals; and other organic chemicals. Used as an insecticide, bactericide.
First aid	If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit
storage	Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with o-chlorotoluene you should be trainedon its proper handling and storage. Store in tightly closedcontainers in a cool, well-ventilated area. Metal containersinvolving the transfer of this chemical should be groundedand bonded. Drums must be equipped with self-closingvalves, pressure vacuum bungs, and flame arresters. Useonly nonsparking tools and equipment, especially whenopening and closing containers of this chemical. Sources ofignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard.
Shipping	UN2238 Chlorotoluenes, Hazard Class: 3; Labels: 3-Flammable liquid.
Purification Methods	Dry 2-chlorotoluene for several days with CaCl2, then distil it from Na using a glass helices-packed column. [Beilstein 5 IV 805.]
Incompatibilities	Incompatible with acids, alkalis, oxidizers, reducing materials; water
Toxics Screening Level	The current ITSL for o-chlorotoluene (70 μg/m3) has a justification (attached) dated April 19,2001.
Waste Disposal	In accordance with 40CFR165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

2-Chlorotoluene Preparation Products And Raw materials

Shop 3-Chloro-1-propene107-05-1-Detailed Image 2

Basic Info

Product Name:

2-Chlorotoluene

Other Name:

Benzene,1-chloro-2-methyl-;Toluene,o-chloro-;1-Chloro-2-methylbenzene;2-Chloro-1-methylbenzene;o-Chlorotoluene;2-Chlorotoluene;1-Methyl-2-chlorobenzene;o-Tolyl chloride;2-Methylchlorobenzene;o-Methylchlorobenzene;2-Methylphenyl chloride;NSC 8766;2-Tolyl chloride;2-Methyl-1-chlorobenzene

CAS No.:

95-49-8

Molecular Formula:

C7H7Cl

InChIKeys:

InChIKey=IBSQPLPBRSHTTG-UHFFFAOYSA-N

Molecular Weight:

126.58300

Exact Mass:

126.58

EC Number:

202-424-3

UNII:

2G7D0YDV9H

ICSC Number:

1458

NSC Number:

8766

UN Number:

2238

DSSTox ID:

DTXSID8023977

Color/Form:

Colorless liquid.

HScode:

29036990

Categories:

Bulk Drug Intermediates

Characteristics

PSA:

XLogP3:

2.64840

Appearance:

O-chlorotoluene is a colorless liquid with an aromatic odor. Denser than water and poorly soluble in water. Hence sinks in water . (USCG, 1999)

Density:

1.0826 g/cm³ @ Temp: 20 °C

Melting Point:

-35.59 °C

Boiling Point:

158.97 °C

Flash Point:

47ºC

Refractive Index:

1.524-1.526

Water Solubility:

H2O: slightly soluble

Storage Conditions:

0-6ºC

Vapor Pressure:

10 mm Hg ( 43 °C)

Vapor Density:

4.38 (vs air)

Flammability characteristics:

Class IC Flammable Liquid: Fl.P. at or above 73°F and below 100°F.

Explosive limit:

vol% in air: 12.6

Odor:

Aromatic odor.

Henrys Law Constant:

0.00 atm-m3/mole

Experimental Properties:

Heat of fusion = 79.99 J/g; Heat capacity = 0.355 J/g-K

Air and Water Reactions:

Slightly water soluble.

Reactive Group:

Aryl Halides

Reactivity Profile:

O-CHLOROTOLUENE may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Reacts violently with dimethyl sulfoxide (NTP, 1992).

Heat of Combustion:

-3747 kJ/mol @ 18.8 °C

Ionization Potential:

8.83 eV

Flammable Limits:

Class IC Flammable Liquid: Fl.P. at or above 73°F and below 100°F.

Heat of Vaporization:

329.1 J/g @ 100 °C

Critical Temperature & Pressure:

Critical temperature = 381.1 °C

See More 2-Chlorotoluene Properties 

Hazard Identification

Classification of the substance or mixture

Acute toxicity - Category 4, Inhalation

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

GHS label elements, including precautionary statements

Precautionary statement(s)
Pictogram(s)
Signal word	Warning
Hazard statement(s)	H332 Harmful if inhaled H411 Toxic to aquatic life with long lasting effects
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P273 Avoid release to the environment.
Response	P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P317 Get medical help. P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to an appropriate treatment and disposal facility in accordance with applicable laws and regulations, and product characteristics at time of disposal.

Other hazards which do not result in classification

no data available

Handling and Storage

Precautions for safe handling

NO open flames, NO sparks and NO smoking. Above 43Â°C use a closed system, ventilation and explosion-proof electrical equipment. Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.

Conditions for safe storage, including any incompatibilities

Fireproof. Separated from strong oxidants.

See More 2-Chlorotoluene Safety Data Sheet 

Seller Information

Business Type:
Trader

Main Products:
pharmaceutical intermediates,peptides,electronic chemicals

Location:
Room 102, 1st Floor, East Office Building, No. 45 Pengwan Road, Qianwan Bonded Port Area, Qingdao Zone, China (Shandong) Pilot Free Trade Zone

Payment Terms:
100% TT in advance

Average lead Time:
10

Total Annual Revenue:
$10 million-$25 million

Total Employees:
51-100

Year of Establishment:
2024

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Website: orientchem.cc
Email: scarlett@orientchem.cc
WhatsApp: +86 17753254221

Inquiry History

2 Inquiries

Country	Product	Purchase Quantity	Date Posted
India	OCT (Ortho Chloro Toluene)	10.00 MT	Aug 30, 2024
India	O-chlorotoluene	16 MT	Sep 26, 2023

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