2,6-Dichloroquinoline

HCID 607502

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1810-72-6
Standard SMILES: Clc1ccc2nc(Cl)ccc2c1
InChIKey: LPDFGLZUUCLXGM-UHFFFAOYSA-N
Molecular formula: C9H5Cl2N
Average molar mass: 198.05 g/mol
Monoisotopic mass: 196.97990452

Names & identifiers

Preferred name: 2,6-Dichloroquinoline
IUPAC: 2,6-dichloroquinoline
English name: 2,6-Dichloroquinoline
Molecular formula: C9H5Cl2N
Molecular weight: 198.05

Names & synonyms

2,6-Dichloroquinoline1810-72-6Quinoline, 2,6-dichloro-DTXSID00345842RefChem:83198DTXCID90296915628-002-2LPDFGLZUUCLXGM-UHFFFAOYSA-N2,6-Dichloro-quinolineMFCD034271942,6-dichoroquinolineSCHEMBL198060

Show more names

2,6-Dichloroquinoline ,97%2,6-Dichloro-1-azanaphthalene2,6-DICHLOROQUINOLINE ISO 9001：2015 REACH

2,6-Dichloroquinoline, 97%AKOS013153472AC-9607AS-19968SY0244102,6-dichloro quinoline2,5-diethoxy-4-nitro-benzanilideAM84631

Database identifiers

CAS: 1810-72-6
PubChem CID: 607502
DTXSID: DTXSID00345842
EC Number: 628-002-2
Nikkaji: J80.321I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 161 · 161-164 °C (lit.)
Boiling point: 172 °C/13mmHg · 172°C/13mmHg(lit.)
Density: 1.407 · 1.407±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -0.48 · -0.48±0.43(Predicted)
form: powder to crystal
color: White to Light yellow to Light orange
InChI: 1S/C9H5Cl2N/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey: LPDFGLZUUCLXGM-UHFFFAOYSA-N
SMILES: Clc1ccc2nc(Cl)ccc2c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29334900 · 29334900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29334900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,6-Dichloroquinoline may be used in the preparation of poly(quinoline-2,6-diyl), via electrochemical polymerization.

General Description2,6-Dichloroquinoline can be synthesized from 6-chloroquinoline. It can also be prepared from the corresponding 2-vinylaniline.