5-Bromo-2-chloro-1H-benzimidazole

HCID 11615568

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Basic information

CAS: 683240-76-8
Standard SMILES: Clc1nc2ccc(Br)cc2[nH]1
InChIKey: QVVZVWKGWGFUTA-UHFFFAOYSA-N
Molecular formula: C7H4BrClN2
Average molar mass: 231.48 g/mol
Monoisotopic mass: 229.92464

Names & identifiers

Preferred name: 5-Bromo-2-chloro-1H-benzimidazole
IUPAC: 6-bromo-2-chloro-1H-benzimidazole
English name: 5-Bromo-2-chloro-1H-benzimidazole
Molecular formula: C7H4BrClN2
Molecular weight: 231.48

Names & synonyms

5-Bromo-2-chloro-1H-benzimidazoleRefChem:533112814-460-2683240-76-85-BROMO-2-CHLORO-1H-BENZO[D]IMIDAZOLE5-Bromo-2-chloro-1H-1,3-benzimidazole5-bromo-2-chlorobenzimidazole6-bromo-2-chloro-1H-benzimidazole5-bromo-2-chloro-1H-1,3-benzodiazoleMFCD041289871H-Benzimidazole, 5-bromo-2-chloro-6-Bromo-2-chlorobenzimidazole

Show more names

6-Bromo-2-chloro-1H-benzoimidazole1H-Benzimidazole, 6-bromo-2-chloro-

6-bromo-2-chloro-1H-benzo[d]imidazole1H-Benzimidazole, 5SCHEMBL482021CS-WAA0077SCHEMBL1192650SCHEMBL15720833DTXSID20469498QVVZVWKGWGFUTA-UHFFFAOYSA-N

Database identifiers

CAS: 683240-76-8
PubChem CID: 11615568
DTXSID: DTXSID20469498
EC Number: 814-460-2

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 212 · 212-213°
Boiling point: 387.3 · 387.3±34.0 °C(Predicted)
Density: 1.878 · 1.878
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
pka: 8.56 · 8.56±0.10(Predicted)
color: Off white to faint lemon
InChI: 1S/C7H4BrClN2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChIKey: QVVZVWKGWGFUTA-UHFFFAOYSA-N
SMILES: ClC(N1[H])=NC2=C1C=CC(Br)=C2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk: WGK 3
hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Suppliers78 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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