CAS 108082-72-0 3-(Benzyloxy)-2-chloropyridine (HCID 819374)

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Basic information

CAS: 108082-72-0
Standard SMILES: Clc1ncccc1OCc1ccccc1
InChIKey: QLLRUGRNZMPUIW-UHFFFAOYSA-N
Molecular formula: C12H10ClNO
Average molar mass: 219.66 g/mol

Names & identifiers

Preferred name: 3-(Benzyloxy)-2-chloropyridine
IUPAC: 2-chloro-3-phenylmethoxypyridine

Names & synonyms

3-(Benzyloxy)-2-chloropyridineRefChem:494273821-090-5108082-72-03-Benzyloxy-2-chloro-pyridine2-Chloro-3-benzyloxymethylpyridineMFCD006614693-Benzyloxy-2-chloropyridinebenzyl 2-chloropyridin-3-yl ether2-chloro-3-phenylmethoxypyridinebenzyloxy-2-chloropyridine2-chloro-3-benzyloxypyridine

Show more names

MLS001178425SCHEMBL2339072CHEMBL1894998QLLRUGRNZMPUIW-UHFFFAOYSA-NHMS2795J212-chloro-3-(phenylmethoxy)pyridineIEA08272SBB095850

Database identifiers

CAS: 108082-72-0
PubChem CID: 819374
ChEMBL: CHEMBL1894998
EC Number: 821-090-5

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 182

Experimental & physicochemical properties

Solubility14.6 [ug/mL] (The mean of the results at pH 7.4)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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