2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole

HCID 393988

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Basic information

CAS: 3156-18-1
Standard SMILES: Clc1ccc(OCc2nc3ccccc3[nH]2)cc1
InChIKey: ITCRYYSSWFKZJM-UHFFFAOYSA-N
Molecular formula: C14H11ClN2O
Average molar mass: 258.7 g/mol
Monoisotopic mass: 258.0559907

Names & identifiers

Preferred name: 2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
IUPAC: 2-[(4-chlorophenoxy)methyl]-1H-benzimidazole
English name: 2-(4-Chloro-phenoxymethyl)-1H-benzoimidazole
Molecular formula: C14H11ClN2O
Molecular weight: 258.7

Names & synonyms

2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole2-((4-chlorophenoxy)methyl)-1H-1,3-benzodiazoleRefChem:449012103-257-83156-18-12-[(4-chlorophenoxy)methyl]-1H-benzimidazole2-(4-chlorophenoxymethyl)-1H-1,3-benzodiazole2-(4-Chloro-phenoxymethyl)-1H-benzoimidazoleNSC697073CHEMBL3552802-((4-chlorophenoxy)methyl)-1H-benzo[d]imidazole1-(benzimidazol-2-ylmethoxy)-4-chlorobenzene

Show more names

1H-Benzimidazole, 2-[(4-chlorophenoxy)methyl]-

2-((4-Chlorophenoxy)methyl)-1H-benzimidazoleOprea1_327046Oprea1_636609MLS000710413SCHEMBL2245506DTXSID00327860HMS1672P18HMS2645E11

Database identifiers

CAS: 3156-18-1
PubChem CID: 393988
DTXSID: DTXSID00327860
ChEMBL: CHEMBL355280
EC Number: 103-257-8

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 269

Physicochemical properties

Melting point: 174 °C · 174 °C
Boiling point: 496.6 · 496.6±25.0 °C(Predicted)
Density: 1.349 · 1.349±0.06 g/cm3(Predicted)
pka: 11.34 · 11.34±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.