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Quinoxaline

Quinoxaline structure

CAS No:
91-19-0
Formula:
C8H6N2
Chemical Name:
Quinoxaline
Synonyms:
Quinoxaline;1,4-Benzodiazine;Benzoparadiazine;Benzopyrazine;Benzo[a]pyrazine;1,4-Diazanaphthalene;Phenopiazine;Phenpiazine;Quinazine;1,4-Naphthyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

light yellow to brown crystalline

Quinoxaline is a naphthyridine in which the nitrogens are at positions 1 and 4. It is a mancude organic heterobicyclic parent, an ortho-fused heteroarene and a naphthyridine.

Quinoxaline Basic Attributes

Molecular Weight：

130.15

Exact Mass：

130.15

BRN：

109351

EC Number：

202-047-4

UNII：

QM4AR6M6T8

DSSTox ID：

DTXSID6049432

HScode：

29339990

Characteristics

PSA：

25.8

XLogP3：

1.3

Appearance：

Light yellow to brown Crystalline Low Melting Solid

Density：

1.124 g/mL at 25 °C(lit.)

Melting Point：

28 °C

Boiling Point：

229.5 °C

Flash Point：

209 °F

Refractive Index：

nD48 1.6231

Water Solubility：

H2O: soluble ;alcohol: freely soluble (lit.)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36/38

safety instructions：

26-36-37/39

RTECS Number：

VD1225000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Quinoxaline

Quinoxaline Use and Manufacturing

Uses

Used as an intermediate for the anti-tuberculosis drug pyrazinamide.

Manufacturing Info：

Quinoxaline: ACTIVE

Computed Properties

Molecular Weight:130.15
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:130.053098200
Monoisotopic Mass:130.053098200
Topological Polar Surface Area:25.8
Heavy Atom Count:10
Complexity:99.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Content: 99%

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