3-(Benzyloxy)-5-bromopyridine

HCID 15389198CAS 130722-95-1

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1cncc(OCc2ccccc2)c1
InChIKey: YSHKYZAWTWKQKK-UHFFFAOYSA-N
Molecular formula: C12H10BrNO
Average molar mass: 264.12 g/mol
Monoisotopic mass: 262.99457604

Names & identifiers

Preferred name: 3-(Benzyloxy)-5-bromopyridine
IUPAC: 3-bromo-5-phenylmethoxypyridine
English name: 3-(Benzyloxy)-5-bromopyridine
Molecular formula: C12H10BrNO
Molecular weight: 264.12

Names & synonyms

3-(benzyloxy)-5-bromopyridine130722-95-13-Benzyloxy-5-bromopyridine3-benzyloxy-5-bromo-pyridinePYRIDINE, 3-BROMO-5-(PHENYLMETHOXY)-MFCD073750043-bromo-5-phenylmethoxypyridine5-benzyloxy-3-bromopyridineB67304SCHEMBL188660SCHEMBL278930103-(Benzyloxy)-5- bromopyridine

Show more names

3-Bromo-5-bezyloxypyridine3-Benzyloxy-5-bromopyridine >3-bromo-5-phenylmethoxypyridine3-(Benzyloxy)-5-bromopyridine ,97%C12H10BrNO 3-(BENZYLOXY)-5-BROMOPYRIDINE3-(BENZYLOXY)-5-BROMOPYRIDINE ISO 9001：2015 REACH

5-(benzyloxy)-3-bromo-pyridineDTXSID10572283YSHKYZAWTWKQKK-UHFFFAOYSA-N5-Bromo-3-(phenylmethoxy)pyridine3-BROMO-5-BENZYLOXYPYRIDINEAKOS013526641AB40925AC-3559

Database identifiers

CAS: 130722-95-1
PubChem CID: 15389198
DTXSID: DTXSID10572283
EC Number: 113-521-4
Nikkaji: J1.003.033A

Properties

Computed structural properties

XLogP: 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

Physicochemical properties

Melting point: 69 to · 69.0 to 73.0 °C
Boiling point: 343.7 · 343.7±27.0 °C(Predicted)
Density: 1.438 · 1.438±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 2.23 · 2.23±0.10(Predicted)
color: White to Light yellow
λmax: 290 nm · 290nm(MeOH)(lit.)
InChI: InChI=1S/C12H10BrNO/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey: YSHKYZAWTWKQKK-UHFFFAOYSA-N
SMILES: C1=NC=C(OCC2=CC=CC=C2)C=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29333990 · 29333990

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.