CAS 89891-65-6 7-Bromo-2-chloroquinoxaline (HCID 4913253)

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Basic information

CAS: 89891-65-6
Standard SMILES: Clc1cnc2ccc(Br)cc2n1
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
Molecular formula: C8H4BrClN2
Average molar mass: 243.49 g/mol
Monoisotopic mass: 241.92464

Names & identifiers

Preferred name: 7-Bromo-2-chloroquinoxaline
IUPAC: 7-bromo-2-chloroquinoxaline
English name: 7-Bromo-2-chloroquinoxaline
Molecular formula: C8H4BrClN2
Molecular weight: 243.49

Names & synonyms

7-bromo-2-chloroquinoxaline89891-65-6DTXSID00406760RefChem:310391DTXCID50357612853-902-9MFCD029553097-bromo-2-chloro-quinoxalineQUINOXALINE, 7-BROMO-2-CHLORO-2-chloro-7-bromo-quinoxalineSCHEMBL361089SCHEMBL30120440

Show more names

3-chloro-6-bromoquinoxaline

AZUMKBQKUXTHCM-UHFFFAOYSA-NSBB014165STK785174AKOS005620591AB12778CS-W019688GS-4133SY018860

Database identifiers

CAS: 89891-65-6
PubChem CID: 4913253
DTXSID: DTXSID00406760
EC Number: 853-902-9

Properties

Computed structural properties

XLogP: 2.9
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: 167

Physicochemical properties

Boiling point: 312.5 · 312.5±37.0 °C(Predicted)
Density: 1.762 · 1.762
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.5 · -2.50±0.30(Predicted)
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Br)C=2)N=CC=1Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.