CAS 35312-62-0 2-benzoyl-1H-imidazole (HCID 186197)

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Basic information

CAS: 35312-62-0
Standard SMILES: O=C(c1ccccc1)c1ncc[nH]1
InChIKey: JUVDEAXMLQQRFP-UHFFFAOYSA-N
Molecular formula: C10H8N2O
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.06366288

Names & identifiers

Preferred name: 2-benzoyl-1H-imidazole
IUPAC: 1H-imidazol-2-yl(phenyl)methanone
English name: (1H-Imidazol-2-yl)-phenyl-methanone
Molecular formula: C10H8N2O
Molecular weight: 172.18

Names & synonyms

2-benzoyl-1H-imidazole38353-02-5RefChem:465588821-964-61H-Imidazol-2-yl(phenyl)methanone35312-62-0(1H-imidazol-2-yl)(phenyl)methanone(1H-imidazol-2-yl)-phenyl-methanoneMethanone, 1H-imidazol-2-ylphenyl-2-benzoylimidazoleMFCD00707818imidazol-2-yl phenyl ketone

Show more names

AKOS BBS-00002807

benzoyl imidazoleMLS001195376SCHEMBL653441CHEMBL1712288DTXSID70956747HMS1659I10HMS2856J11NBA35302

Database identifiers

CAS: 35312-62-0、38353-02-5
PubChem CID: 186197
DTXSID: DTXSID70956747
ChEMBL: CHEMBL1712288
EC Number: 821-964-6
Nikkaji: J645.504B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 187

Experimental & physicochemical properties

Solubility>25.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Hazard Codes: Xn
Risk Statements: 22 · 22

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.