4-Methylbenzimidazole

HCID 1519341CAS 4887-83-6

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccc2[nH]cnc12
InChIKey: QCXGJTGMGJOYDP-UHFFFAOYSA-N
Molecular formula: C8H8N2
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.06874826

Names & identifiers

Preferred name: 4-Methylbenzimidazole
IUPAC: 4-methyl-1H-benzimidazole
English name: 4-METHYL-1H-BENZOIMIDAZOLE
Molecular formula: C8H8N2
Molecular weight: 132.16

Names & synonyms

4-MethylbenzimidazoleRefChem:525547843-140-57-methyl-1H-benzo[d]imidazole4887-83-64-methyl-1H-benzimidazole4-methyl-1H-benzoimidazole4-methyl-1H-benzo[d]imidazole1H-Benzimidazole, 4-methyl-4-methyl-1H-1,3-benzodiazoleCHEMBL4461744-methyl-benz-imidazole

Show more names

7-methyl-1H-Benzimidazole1H-Benzimidazole, 7-methyl-1H-Benzimidazole,4-methyl-(9CI)4-Methyl-1H-benzo[d]iMidazole/7-Methyl-1H-benzo[d]iMidazole

MFCD002725277-methyl-1H-benzoimidazole7-methyl-1H-benzMFCD09842603benzimidazole, 4-methyl-SCHEMBL8667SCHEMBL8668SCHEMBL558087

Database identifiers

CAS: 4887-83-6
PubChem CID: 1519341
DTXSID: DTXSID30364006
ChEMBL: CHEMBL446174
EC Number: 843-140-5
Nikkaji: J745.677H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 140 °C · 140 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
Boiling point: 363.2 · 363.2±11.0 °C(Predicted)
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.15 · 13.15±0.30(Predicted)
Appearance: Light yellow to yellow 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 · 3 items

This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.

Not Classified

Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

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