CAS 5376-10-3 (1-benzyl-1H-imidazol-2-yl)methanol (HCID 311778)

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Basic information

CAS: 5376-10-3
Standard SMILES: OCc1nccn1Cc1ccccc1
InChIKey: SGIKRGDBBXWNRI-UHFFFAOYSA-N
Molecular formula: C11H12N2O
Average molar mass: 188.23 g/mol
Monoisotopic mass: 188.094963

Names & identifiers

Preferred name: (1-benzyl-1H-imidazol-2-yl)methanol
IUPAC: (1-benzylimidazol-2-yl)methanol
English name: (1-BENZYL-1H-IMIDAZOL-2-YL)METHANOL
Molecular formula: C11H12N2O
Molecular weight: 188.23

Names & synonyms

(1-Benzyl-1H-imidazol-2-yl)methanolDTXSID50309838RefChem:392043DTXCID40260964829-933-95376-10-3(1-benzylimidazol-2-yl)methanol1-Benzyl-2-(hydroxymethyl)imidazole1H-Imidazole-2-methanol, 1-(phenylmethyl)-MFCD001742601-Benzylimidazole-2-methanol1-benzyl-2-hydroxymethylimidazole

Show more names

BUTTPARK 29\04-901-Benzyl-1H-imidazole-2-methanol(3-Benzyl-3H-imidazol-4-yl)-methanol(1-Benzyl-1H-imidazol-2-yl)methanol 97%1-Benzyl-2-(hydroxymethyl)-1H-imidazole1-Benzyl-2-(hydroxymethyl)-1H-imidazole 97%

Imidazole-2-methanol, 1-benzyl-1H-imidazole-2-methanol, 1-(phenylmethyl)-, hydrochlorideMaybridge1_004961CHEMBL351748SCHEMBL2872632SCHEMBL2872636HMS555J11N-benzyl-2-hydroxymethylimidazole

Database identifiers

CAS: 5376-10-3
PubChem CID: 311778
DTXSID: DTXSID50309838
ChEMBL: CHEMBL351748
EC Number: 829-933-9
Nikkaji: J103.789G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 89 · 89-92°C
Boiling point: 354.9 · 354.9±25.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.94 · 13.94±0.10(Predicted)
form: solid
InChI: InChI=1S/C11H12N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKey: SGIKRGDBBXWNRI-UHFFFAOYSA-N
SMILES: C1(CO)N(CC2=CC=CC=C2)C=CN=1
CAS DataBase Reference: 5376 · 5376-10-3(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)

Safety data

risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P