CAS 1082843-70-6 3,5-Dibromo-2-chloropyrazine (HCID 53350358)

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Basic information

CAS: 1082843-70-6
Standard SMILES: Clc1ncc(Br)nc1Br
InChIKey: WNZURIDUDWMEKQ-UHFFFAOYSA-N
Molecular formula: C4HBr2ClN2
Average molar mass: 272.32 g/mol
Monoisotopic mass: 269.81949991

Names & identifiers

Preferred name: 3,5-Dibromo-2-chloropyrazine
IUPAC: 3,5-dibromo-2-chloropyrazine
English name: 3,5-Dibromo-2-chloropyrazine
Molecular formula: C4HBr2ClN2
Molecular weight: 272.33

Names & synonyms

3,5-Dibromo-2-Chloropyrazine1082843-70-6DTXSID90693607RefChem:271575DTXCID90644356892-866-9C4HBr2ClN2MFCD131933673,5-dibromo-2-chloro-pyrazineSCHEMBL2796892-chloro-3,5-dibromo-pyrazineAKOS015919885

Show more names

2-Chloro-3,5-dibroMopyrazine2-chlorine-3,5-dibromopyrazinePyrazine, 3,5-dibromo-2-chloro-3,5-Dibromo-2-chloropyrazine ISO 9001：2015 REACH

CS-W000798GS-5765PB28518SY019258AMY28628FT-0666490SCHEMBL29538265DB-059726

Database identifiers

CAS: 1082843-70-6
PubChem CID: 53350358
DTXSID: DTXSID90693607
EC Number: 892-866-9

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 261 ℃ · 261℃
Density: 2.265 · 2.265
Flash point: 112 ℃ · 112℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -6.65 · -6.65±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

UsesAn intermediate used for the 1) preparation of a number of salts of fused pyrazine derivative for treatment of degenerative and inflammatory diseases, 2) preparation of a number of pyridine and pyrazine derivatives as protein kinase modulators for the treatment of CDK9-mediated diseases.

Uses3,5-Dibromo-2-chloropyrazine is an intermediate used for the 1) preparation of a number of salts of fused pyrazine derivative for treatment of degenerative and inflammatory diseases, 2) preparation of a number of pyridine and pyrazi ne derivatives as protein kinase modulators for the treatment of CDK9-mediated diseases.