2-Chloro-3-methylquinoxaline

HCID 236276

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 32601-86-8
Standard SMILES: Cc1nc2ccccc2nc1Cl
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 2-Chloro-3-methylquinoxaline
IUPAC: 2-chloro-3-methylquinoxaline
English name: 2-Chloro-3-methyl-quinoxaline
Molecular formula: C9H7ClN2
Molecular weight: 178.62

Names & synonyms

2-chloro-3-methylquinoxalineDTXSID50284712RefChem:86197DTXCID30235863676-130-232601-86-82-Chloro-3-methyl-quinoxalineQuinoxaline, 2-chloro-3-methyl-MFCD00023913SCHEMBL16709422-Chloro-3-methylquinoxaline, 97%SY017612

Show more names

NSC 38593AKOS BBS-00004537TIMTEC-BB SBB0106322-Chloro-3-methylquinoxaline ,97%

doi:10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N.2Z57156248BCP27356NSC38593AM20070342FT-06117323-chloro-2-methylquinoxalineALBB-023906

Database identifiers

CAS: 32601-86-8
PubChem CID: 236276
DTXSID: DTXSID50284712
EC Number: 676-130-2、692-189-7
Nikkaji: J1.430.571H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 91 · 91-93℃
Boiling point: 259.9 · 259.9±35.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder
pka: -1.14 · -1.14±0.48(Predicted)
Appearance: Orange to red Solid
InChI: 1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
SMILES: Cc1nc2ccccc2nc1Cl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
Hazard Codes: Xi,T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 2 · 2
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 3 (84.8%)

Acute Tox. 4 (100%)

Safety data

wgk: 2
ridadr: UN 2811 6.1 / PGIII
hs_code: 29339900
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,T
safety_code: 26-39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310