(1-Ethyl-1H-benzimidazol-2-yl)methanol

HCID 799599

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Basic information

CAS: 21269-78-3
Standard SMILES: CCn1c(CO)nc2ccccc21
InChIKey: YPMCFIDLEKUBHI-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Names & identifiers

Preferred name: (1-Ethyl-1H-benzimidazol-2-yl)methanol
IUPAC: (1-ethylbenzimidazol-2-yl)methanol
English name: (1-ethyl-1H-benzoimidazol-2-yl)methanol
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

21269-78-3(1-ethyl-1H-benzimidazol-2-yl)methanolDTXSID60355407RefChem:204526DTXCID90306467696-395-8(1-ethylbenzimidazol-2-yl)methanolMFCD00964668(1-ETHYL-1H-BENZO[D]IMIDAZOL-2-YL)METHANOL(1-ethyl-1H-1,3-benzodiazol-2-yl)methanol(1-ethyl-1h-benzoimidazol-2-yl)methanol(1-Ethyl-1H-benzoimidazol-2-yl)-methanol

Show more names

Albb-003786(1-Ethyl-2-benzimidazolyl)methanol1H-Benzimidazole-2-methanol,1-ethyl-(9CI)(1-ethylbenzimidazol-2-yl)methanol - [E84822](1-ethyl-1H-benzimidazol-2-yl)methanol(SALTDATA: FREE)

1-ethyl-2-hydroxymethylbenzimidazoleSCHEMBL2017366F0414-0076AKOS000272102LS-01319D968121h-benzimidazole-2-methanol, 1-ethyl-(1-ethylbenzimidazol-2-yl)methan-1-ol

Database identifiers

CAS: 21269-78-3
PubChem CID: 799599
DTXSID: DTXSID60355407
EC Number: 696-395-8

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 143 °C · 143 °C
Boiling point: 357.5 · 357.5±25.0 °C(Predicted)
Density: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 13.81 · 13.81±0.10(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
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

Warning

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, 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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

Uses1-Ethyl-2-hydroxymethylbenzimidazole is an intermediate used in the synthesis of N-pyrimidinyl-4-aminobenzenesulfonamides useful for treatment or prevention of disease mediated by α2B-adrenoceptor. It is also used to prepare benzimidazole derivatives as ENaC blockers.