CAS 4857-01-6 2-(Hydroxyethyl)benzimidazole (HCID 78570)

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Basic information

CAS: 4857-01-6
Standard SMILES: OCCc1nc2ccccc2[nH]1
InChIKey: KNWQKDWAKRSKIF-UHFFFAOYSA-N
Molecular formula: C9H10N2O
Average molar mass: 162.19 g/mol
Monoisotopic mass: 162.07931294

Overview

structure

Names & identifiers

Preferred name: 2-(Hydroxyethyl)benzimidazole
IUPAC: 2-(1H-benzimidazol-2-yl)ethanol
English name: 2-(2-Hydroxyethyl)benzimidazole
Molecular formula: C9H10N2O
Molecular weight: 162.19

Names & synonyms

4857-01-61H-Benzimidazole-2-ethanol2-(Hydroxyethyl)benzimidazoleDTXSID30197553RefChem:84742DTXCID901200442-(2-Hydroxyethyl)benzimidazole2-(1H-benzo[d]imidazol-2-yl)ethanol2-(1H-Benzimidazol-2-yl)ethanol2-Benzimidazoleethanol2-(1H-1,3-benzodiazol-2-yl)ethan-1-olMFCD00022686

Show more names

2-Benzimidazoleethanol (8CI)1H-Benzimidazole-2-ethanol(9CI)2-(3aH-benzimidazol-2-yl)ethanol2-(1H-benzimidazol-2-yl)ethanol(SALTDATA: FREE)

2-(.beta.-Hydroxyethyl)benzimidazoleF3287-02142-benzimidazol-2-ylethan-1-ol2-(.beta.-HydrNCIOpen2_001557SCHEMBL1053259SCHEMBL62445482-(beta-Hydroxyethyl)benzimidazole

Database identifiers

CAS: 4857-01-6
PubChem CID: 78570
DTXSID: DTXSID30197553
EC Number: 654-555-4
Nikkaji

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 152 · 152-154 ºC
Boiling point: 428.6 · 428.6±28.0 °C(Predicted)
Density: 1.293 · 1.293
storage temp.: 2 · Storage temp. 2-8°C
pka: 11.79 · 11.79±0.10(Predicted)
Appearance: Light yellow to brown Solid
NIST Chemistry Reference: 2 · 2-Benzimidazoleethanol(4857-01-6)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 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

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H315-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362