CAS 51581-50-1 1-(2-Chlorophenyl)imidazole (HCID 142858)

Substructure search Find similar structures

Basic information

CAS: 51581-50-1
Standard SMILES: Clc1ccccc1-n1ccnc1
InChIKey: ZGGZGKAVJNFVHE-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)imidazole
IUPAC: 1-(2-chlorophenyl)imidazole
English name: 1-(2-Chlorophenyl)imidazole
Molecular formula: C9H7ClN2
Molecular weight: 178.62

Names & synonyms

1-(2-Chlorophenyl)imidazole51581-50-1DTXSID70199536RefChem:74126DTXCID30122027ZGGZGKAVJNFVHE-UHFFFAOYSA-N1-(2-Chlorophenyl)-1H-imidazoleMFCD000412051H-Imidazole, 1-(2-chlorophenyl)-(2-chlorophenyl)imidazoleSCHEMBL535419SCHEMBL870689

Show more names

SCHEMBL1692021SCHEMBL271823751-(2-chloro-phenyl)-1H-imidazole1-(2-Chlorophenyl)-1H-imidazole #AKOS006229769FS-1536ST103381DB-389339

Database identifiers

CAS: 51581-50-1
PubChem CID: 142858
DTXSID: DTXSID70199536
EC Number: 674-017-2
Nikkaji: J764.306C

Properties

Computed structural properties

XLogP: 2.3
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: 151

Physicochemical properties

Boiling point: 108 °C · 108°C 1mm
Density: 1 · 1,25 g/cm3
refractive index: 1.59 · 1.59
Flash point: 108 °C/1mm · 108°C/1mm
pka: 5.03 · 5.03±0.10(Predicted)
CAS DataBase Reference: 51581 · 51581-50-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 24 · 24/25-26

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-26
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313