1-Hydroxybenzimidazole

HCID 576479

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Basic information

CAS: 18916-43-3
Standard SMILES: On1cnc2ccccc21
InChIKey: IRSPCJLMPFDMGD-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.04801281

Names & identifiers

Preferred name: 1-Hydroxybenzimidazole
IUPAC: 1-hydroxybenzimidazole
English name: 1H-Benzimidazole,3-oxide(9CI)
Molecular formula: C7H6N2O
Molecular weight: 0

Names & synonyms

1-hydroxybenzimidazole1H-Benzo[d]imidazol-1-ol59118-51-31H-1,3-Benzodiazol-3-ium-3-olate18916-43-3Benzoimidazol-1-olbenzimidazole N-oxideSCHEMBL11220SCHEMBL618901H-1,3-Benzimidazol-1-olSCHEMBL222667SCHEMBL655742

Show more names

1H-BENZOIMIDAZOLE 3-OXIDE1H-Benzimidazole,3-oxide(9CI)

SCHEMBL3673037DTXSID40341883IRSPCJLMPFDMGD-UHFFFAOYSA-NAKOS024400769

Database identifiers

CAS: 18916-43-3、59118-51-3
PubChem CID: 576479
DTXSID: DTXSID40341883
EC Number: 159-337-8
Nikkaji: J1.299.029D、J101.143J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.