4-(4'-Chlorobenzyl)pyridine

HCID 78124CAS 4409-11-4

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc(Cc2ccncc2)cc1
InChIKey: OHKBVLWPESSWKC-UHFFFAOYSA-N
Molecular formula: C12H10ClN
Average molar mass: 203.67 g/mol
Monoisotopic mass: 203.050177

Names & identifiers

Preferred name: 4-(4'-Chlorobenzyl)pyridine
IUPAC: 4-[(4-chlorophenyl)methyl]pyridine
English name: 4-(4-Chlorobenzyl)pyridine
Molecular formula: C12H10ClN
Molecular weight: 203.67

Names & synonyms

4409-11-44-[(4-chlorophenyl)methyl]pyridine4-(4'-Chlorobenzyl)pyridine4-((4-Chlorophenyl)methyl)pyridineEINECS 224-560-2Pyridine, 4-((4-chlorophenyl)methyl)-DTXSID20196035Pyridine, 4-[(4-chlorophenyl)methyl]-RefChem:513424DTXCID30118526224-560-24-(4-Chlorobenzyl)pyridine

Show more names

LABOTEST-BB LT008479704-(p-Chlorobenzy)pyridineDexchlorpheniramine Impurity 64-(4-Chlorobenzyl)pyridine,98%4-(4-Chlorobenzyl)pyridine, 97+%4-(4-Chlorobenzyl)pyridine, tech.

MFCD000064444-(4-Chloro-benzyl)-pyridine4-(para-Chlorobenzyl)-pyridine4-(p-Chlorobenzyl)pyridineSCHEMBL1981719SCHEMBL3750399CHEMBL19280884-(4-chlorophenylmethyl)pyridine

Database identifiers

CAS: 4409-11-4
PubChem CID: 78124
DTXSID: DTXSID20196035
ChEMBL: CHEMBL1928088
EC Number: 224-560-2
Nikkaji: J149.798G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 28 · 28-30°C
Boiling point: 123 · 123-125°C 6mm
Density: 1.16 · 1.16
refractive index: 1.589 · 1.589-1.591
Flash point: 110 °C · >110°C
pka: 5.72 · 5.72±0.10(Predicted)
form: powder to lump to clear liquid
color: White or Colorless to Yellow
BRN: 1367705 · 1367705
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
RTECS: 7204100 · US7204100
HS Code: 2933.39 · 2933.39.9200

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

rtecs: US7204100
hs_code: 2933.39.9200
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313