5-(Benzyloxy)-2-chloropyridine

HCID 10013717CAS 84611-43-8

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc(OCc2ccccc2)cn1
InChIKey: QLUMNDLJGBUHPB-UHFFFAOYSA-N
Molecular formula: C12H10ClNO
Average molar mass: 219.66 g/mol
Monoisotopic mass: 219.0450916

Names & identifiers

Preferred name: 5-(Benzyloxy)-2-chloropyridine
IUPAC: 2-chloro-5-phenylmethoxypyridine
English name: Pyridine, 2-chloro-5-(phenylmethoxy)-
Molecular formula: C12H10ClNO
Molecular weight: 219.67

Names & synonyms

5-(Benzyloxy)-2-chloropyridine84611-43-82-Chloro-5-benzyloxypyridinePyridine, 2-chloro-5-(phenylmethoxy)-2-chloro-5-phenylmethoxypyridineMFCD119764575-benzyloxy-2-chloro-pyridine5-benzyloxy-2-chloropyridineSCHEMBL940824DTXSID60434180QLUMNDLJGBUHPB-UHFFFAOYSA-NALBB-037867

Show more names

2-Chloro-5-(phenylmethoxy)-pyridineAKOS017565607AS-60258DB-049772CS-0036416W12725F613615

Database identifiers

CAS: 84611-43-8
PubChem CID: 10013717
DTXSID: DTXSID60434180
Nikkaji: J2.672.240C

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

Physicochemical properties

Density: 1.225 · 1.225
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H312-H332
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H312-H332
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501