2-(Chloromethyl)quinoline

HCID 20394CAS 4377-41-7

Substructure search Find similar structures

Basic information

Standard SMILES: ClCc1ccc2ccccc2n1
InChIKey: DDEAEWMDOSXKBX-UHFFFAOYSA-N
Molecular formula: C10H8ClN
Average molar mass: 177.63 g/mol
Monoisotopic mass: 177.03452694

Names & identifiers

Preferred name: 2-(Chloromethyl)quinoline
IUPAC: 2-(chloromethyl)quinoline
English name: 2-(chloromethyl)quinoline
Molecular formula: C10H8ClN
Molecular weight: 177.63

Names & synonyms

2-(Chloromethyl)quinoline4377-41-7EINECS 224-479-2DTXSID70195932NSC 158442RefChem:84643DTXCID10118423224-479-22-ChloromethylquinolineMFCD00023999chloromethylquinoline2-Chloromethyquinoline

Show more names

alpha-Chloroquinaldine2-quinolinylmethyl chlorideQuinoline, 2-(chloromethyl)-

2-chloromethyiquinoline2-chloromethyl quinolin2quinolinylmethylchloride2-chloromethyl-quinoline2-Chloromethyl quinoline2-quinolinylmethylchloride2-chloro methyl quinoline2- (chloromethyl)quinoline

Database identifiers

CAS: 4377-41-7
PubChem CID: 20394
DTXSID: DTXSID70195932
EC Number: 224-479-2
Nikkaji: J205.756E

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 56.5 · 56.5-57.5℃
Boiling point: 288.8 · 288.8±15.0 °C(Predicted)
Density: 1.229 · 1.229±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 3.48 · 3.48±0.48(Predicted)
Appearance: White to off-white Solid
InChI: 1S/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKey: DDEAEWMDOSXKBX-UHFFFAOYSA-N
SMILES: ClCC1=CC=C2C(C=CC=C2)=N1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · WGK 3
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 2933499090
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501