CAS 10364-94-0 1H-Imidazol-1-ylphenylmethanone (HCID 66319)

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Basic information

CAS: 10364-94-0
Standard SMILES: O=C(c1ccccc1)n1ccnc1
InChIKey: JEGIFBGJZPYMJS-UHFFFAOYSA-N
Molecular formula: C10H8N2O
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.06366288

Names & identifiers

Preferred name: 1H-Imidazol-1-ylphenylmethanone
IUPAC: imidazol-1-yl(phenyl)methanone
English name: N-BENZOYLIMIDAZOLE
Molecular formula: C10H8N2O
Molecular weight: 172.18

Names & synonyms

N-Benzoylimidazole10364-94-01H-Imidazole, 1-benzoyl-42L29D4UCP1H-Imidazol-1-ylphenylmethanoneDTXSID10145971RefChem:829072DTXCID8068462233-805-21-Benzoylimidazole(1H-imidazol-1-yl)(phenyl)methanone1-Benzoyl-1H-imidazole

Show more names

LABOTEST-BB LT00454025N-Benzoylimidazole-98%Diphenhydramine Impurity 30Methanone, 1H-imidazol-1-ylphenyl-

imidazol-1-yl(phenyl)methanoneMFCD00014499imidazolyl phenyl ketone1H-Imidazol-1-ylphenyl-methanoneimidazol-1-yl-phenyl-methanoneEINECS 233-805-2Imidazole N-1 deriv. 71-Benzoyl-1H-imidazole #

Database identifiers

CAS: 10364-94-0
PubChem CID: 66319
DTXSID: DTXSID10145971
UNII: 42L29D4UCP
EC Number: 233-805-2
Nikkaji: J236.791B

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 187

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 19 · 19-20 °C(Solv: ligroine (8032-32-4))
Boiling point: 120 °C · 120 °C
Density: 1.15 · 1.15±0.1 g/cm3(Predicted)
Flash point: 120 · 120-121°C/0.8mm
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Oil
pka: 3.65 · 3.65±0.10(Predicted)
color: Pale Yellow to Yellow
Sensitive: Moisture Sensitive
BRN: 125881 · 125881
CAS DataBase Reference: 10364 · 10364-94-0(CAS DataBase Reference)
FDA UNII

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: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT, MOISTURE SENSITIVE, KEEP COLD
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313