CAS 40864-08-2 2-(Benzyloxy)pyridine (HCID 295859)

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Basic information

CAS: 40864-08-2
Standard SMILES: c1ccc(COc2ccccn2)cc1
InChIKey: FMBDGKGJYMSJKF-UHFFFAOYSA-N
Molecular formula: C12H11NO
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.08406397

Names & identifiers

Preferred name: 2-(Benzyloxy)pyridine
IUPAC: 2-phenylmethoxypyridine
English name: 2-(Benzyloxy)pyridine
Molecular formula: C12H11NO
Molecular weight: 185.22

Names & synonyms

2-(Benzyloxy)pyridineDTXSID30304341RefChem:459799DTXCID60255473800-664-940864-08-22-phenylmethoxypyridine2-benzyloxypyridinePyridine, 2-(phenylmethoxy)-MFCD09701434NSC-165475benzyloxypyridine

Show more names

2-benzyloxy-pyridineNSC165475Benzyl 2-pyridyl ether2-(Phenylmethoxy)pyridine85J6WEH5WUSCHEMBL223503SCHEMBL223680SCHEMBL447619

Database identifiers

CAS: 40864-08-2
PubChem CID: 295859
DTXSID: DTXSID30304341
UNII: 85J6WEH5WU
EC Number: 800-664-9
Nikkaji: J582.398F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 162 · 162-164 °C(Press: 20 Torr)
Density: 1.106 · 1.106±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.97 · 3.97±0.12(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362