2-Benzyloxy-6-bromopyridine

HCID 817475CAS 117068-71-0

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Basic information

Standard SMILES: Brc1cccc(OCc2ccccc2)n1
InChIKey: WEMPEMXDSUATEK-UHFFFAOYSA-N
Molecular formula: C12H10BrNO
Average molar mass: 264.12 g/mol
Monoisotopic mass: 262.99458

Names & identifiers

Preferred name: 2-Benzyloxy-6-bromopyridine
IUPAC: 2-bromo-6-phenylmethoxypyridine
English name: 2-Bromo-6-benzyloxypyridine
Molecular formula: C12H10BrNO
Molecular weight: 264.12

Names & synonyms

2-Benzyloxy-6-bromopyridineRefChem:465708893-372-6117068-71-02-(benzyloxy)-6-bromopyridine2-Bromo-6-benzyloxypyridine2-bromo-6-phenylmethoxypyridine2-Benzyloxy-6-bromo-pyridineMFCD00234782PYRIDINE, 2-BROMO-6-(PHENYLMETHOXY)-2-Benzyloxy)-6-bromopyridine2-bromo-6-(phenylmethoxy)pyridine

Show more names

2-Bromo-6-benzyloxypyridine >2-Bromo-6-(phenylmethoxy)pyridine

SCHEMBL51836-benzyloxy-2-bromopyridineSCHEMBL29574709DTXSID103558116-bromo-2-(phenylmethoxy)pyridineSEA06871SBB102758AKOS013279160

Database identifiers

CAS: 117068-71-0
PubChem CID: 817475
DTXSID: DTXSID10355811
EC Number: 893-372-6
Nikkaji: J1.457.894C

Properties

Computed structural properties

XLogP: 3.7
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

Physicochemical properties

Melting point: 13 · 13-15 °C
Boiling point: 338.6 · 338.6±27.0 °C(Predicted)
Density: 1.438 · 1.438±0.06 g/cm3(Predicted)
Flash point: 36 °C · 36 °C
storage temp.: Refrigerator
pka: -0.52 · -0.52±0.12(Predicted)
form: powder to lump
color: White to Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933.39 · 2933.39.9200

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, 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.