 Home > Encyclopedia > Isoquinoline

Isoquinoline

Isoquinoline structure

CAS No:
119-65-3
Formula:
C9H7N
Chemical Name:
Isoquinoline
Synonyms:
Isoquinoline;Benzo[c]pyridine;2-Azanaphthalene;2-Benzazine;Benzopyridine;β-Quinoline;NSC 3395
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Liquid; OtherSolid|Solid|Colourless liquid, hygroscopic platelets when solid; Heavy-sweet balsamic, herbaceous aroma

Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a mancude organic heterobicyclic parent, an azaarene, an ortho-fused heteroarene and a member of isoquinolines.

Isoquinoline Basic Attributes

Molecular Weight：

129.16

Exact Mass：

129.16

BRN：

107549

EC Number：

204-341-8

UNII：

JGX76Y85M6

NSC Number：

3395

DSSTox ID：

DTXSID2047644

HScode：

29334900

Characteristics

PSA：

12.9

XLogP3：

2.1

Appearance：

Light brown Low Melting Solid

Density：

1.099 g/cm³ @ Temp: 20 °C

Melting Point：

26.47 °C

Boiling Point：

243.2 °C

Flash Point：

225 °F

Refractive Index：

1.642

Water Solubility：

Practically insoluble in water

Storage Conditions：

2-8°C

Vapor Pressure：

0.07 mmHg

Toxicity：

Oral-Rat LD50: 360 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; emit toxic nitrogen oxide fumes during combustion

PKA：

5.42(at 20 °C)

OH：

8.50e-12 cm3/molecule*sec

Dissociation Constants：

5.42 (at 20 °C)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

22-24-38-52/53-36/38-21/22-45

safety instructions：

36/37-45-36/37/39-61-53

RTECS Number：

NW6825000

Marks：

Storage features：

Completely packed, lightly packed; storeroom ventilated, away from open flame, high temperature, and stored separately from oxidants and strong acids

Precautionary statement(s)：

P264, P270, P273, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 1692 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501

Toxicity

Toxicity class：

moderately toxic

Drug Information

Metabolism/Metabolites：

Isoquinoline has known human metabolites that include isoquinoline N-oxide.

MeSH Entry Terms：

isoquinoline

Isoquinoline Use and Manufacturing

Methods of Manufacturing

It is obtained by repeated freezing and separation of coal tar with a boiling range of 238～250℃.

Uses

It can produce medicines and high-efficiency insecticides. After oxidation, it can be made into pyridine carboxylic acid, and its derivatives can be used to make color films and dyes. Used as intermediates for the synthesis of drugs, dyes, pesticides and gas chromatography fixatives. Used in the production of pesticides, medicines, rubber accelerators, color film sensitizers, dyes and other products. Used as raw materials for medicines, dyes, pesticides, anion exchange resins, etc., preservatives for iron, curing agents for soluble phenolic resins, etc. The addition compounds formed with metals can be used for the quantitative determination of nickel and cadmium and the qualitative determination of precious metals. In the benzoylation reaction and the polymerization of α-olefins, isoquinoline can also be used as a catalyst

Catalyst used in the production of polyimide film.

Polyimide film used as an insulator for electronic components.

Production

100,000 - 500,000 lb

Manufacturing Info：

Oil and gas drilling, extraction, and support activities|Isoquinoline: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:129.16
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Exact Mass:129.057849228
Monoisotopic Mass:129.057849228
Topological Polar Surface Area:12.9
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Isoquinoline

QINGDAO OUCHEM TRADE CO,LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Ethyl chloroacetate,Methyl chloroacetate,2-Thiophenecarboxaldehyde

Isoquinoline 97% Light yellow oily liquid 97% OUCHEM

CAS No.: 119-65-3

Grade: Industrial Grade

Content: 97%

Inquiry
LEADER BIOCHEMICAL GROUP Contact Supplier

CN
8 YRS

Business licensed Certified factory

Manufactory Supplier of Biochemicals Ingredients,Vitamin Amino Acid Ingredients,Cosmestic Ingredients,Pharma Chemicals,Organic Fine Chemicals,Food Nutrient Ingredients,Natural Plant Ingredients,APIS Intermidiates,Daily Chemicals,Agricultural Chemicals,Surfactant Chemicals,Ultraviolet Absorbents,Antioxidant Ingredients,Scientific Research Chemical,Flavors and Fragrances Chemicals

China Largest Manufacturer Supply High Purity Isoquinoline CAS 119-65-3

CAS No.: 119-65-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Hebei Longbang Technology Co., Ltd Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of chemical

Isoquinoline CAS 119-65-3 High qualityFood additives Edible flavor flavoring agent natural equivalent to fragrance and artificial fragrance

CAS No.: 119-65-3

Grade: Chemical Grade

Content: 99%

Inquiry
JV GLOBAL CHEMS SDN BHD Contact Supplier

MY
4 YRS

Business licensed Certified factory

Manufactory Supplier of INDUSTRIAL CHEMICALS,FERTILIZER,SWEETENERS & ADDITIVES,AGRO CHEMICALS

Isoquinoline CAS NO.119-65-3 Benzo[c]pyridine 2-benzazine

CAS No.: 119-65-3

Inquiry
Shandong Ailike New Material Technology Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of API,Antibiotics,Anti cancer category

lsoquinoline

Unit Price: $1 /KG EXW

CAS No.: 119-65-3

Grade: pharmaceutical grade

Content: 99%

Inquiry