2-(Chloromethyl)-1-methylbenzimidazole

HCID 248044CAS 4760-35-4

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Basic information

Standard SMILES: Cn1c(CCl)nc2ccccc21
InChIKey: WRGVPFAJPMIYOX-UHFFFAOYSA-N
Molecular formula: C9H9ClN2
Average molar mass: 180.63 g/mol
Monoisotopic mass: 180.04542597

Names & identifiers

Preferred name: 2-(Chloromethyl)-1-methylbenzimidazole
IUPAC: 2-(chloromethyl)-1-methylbenzimidazole
English name: 2-(Chloromethyl)-1-methyl-1H-benzimidazole
Molecular formula: C9H9ClN2
Molecular weight: 180.63

Names & synonyms

4760-35-42-(chloromethyl)-1-methylbenzimidazoleRefChem:10615212-(chloromethyl)-1-methyl-1h-benzimidazole2-(chloromethyl)-1-methyl-1H-benzo[d]imidazole2-Chloromethyl-1-methyl-1H-benzoimidazoleMFCD004575232-(CHLOROMETHYL)-1-METHYL-BENZIMIDAZOLE2-(CHLOROMETHYL)-1-METHYL-1H-1,3-BENZODIAZOLE1H-benzimidazole, 2-(chloromethyl)-1-methyl-, hydrochloride[2-(chloromethyl)-1,3-benzodiazol-1-yl]methylNSC64201

Show more names

2-(chloromethyl)-1-methyl-benzoimidazole1H-Benzimidazole,2-(chloromethyl)-1-methyl-(9CI)2-(chloromethyl)-1-methyl-1H-benzimidazole hydrochloride2-(Chloromethyl)-1-methyl-1h-1,3-benzodiazole hydrochloride

SCHEMBL1038091H-BENZIMIDAZOLE, 2-(CHLOROMETHYL)-1-METHYL-CHEMBL2287555DTXSID60289793WRGVPFAJPMIYOX-UHFFFAOYSA-NALBB-0178121-methyl-2-chloromethylbenzimidazole2-chloromethyl-1-methylbenzimidazole

Database identifiers

CAS: 4760-35-4
PubChem CID: 248044
DTXSID: DTXSID60289793
ChEMBL: CHEMBL2287555
Nikkaji: J1.751.799F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 94 °C · 94 °C
Boiling point: 323.6 · 323.6±25.0 °C(Predicted)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 4.81 · 4.81±0.10(Predicted)
form: solid
color: Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090