2,5-Dichloroquinoline

HCID 676552

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Basic information

CAS: 59412-12-3
Standard SMILES: Clc1ccc2c(Cl)cccc2n1
InChIKey: RVLOQSXPPSJIMX-UHFFFAOYSA-N
Molecular formula: C9H5Cl2N
Average molar mass: 198.05 g/mol
Monoisotopic mass: 196.9799046

Names & identifiers

Preferred name: 2,5-Dichloroquinoline
IUPAC: 2,5-dichloroquinoline
English name: 2,5-Dichloroquinoline
Molecular formula: C9H5Cl2N
Molecular weight: 198.05

Names & synonyms

2,5-dichloroquinoline59412-12-3DTXSID00350315RefChem:247380DTXCID20301384864-368-1Dichloroquinoline(2,5-)2,5-dichloro-quinolineMFCD0083207425-DichloroquinolineQuinoline, 2,5-dichloro-2-chloro-5-chloroquinoline

Show more names

2,5-Dichloroquinoline,95%,QC-6736

SCHEMBL239860SCHEMBL29746469RVLOQSXPPSJIMX-UHFFFAOYSA-NJCA41212AKOS006272554CS-W006927DS-6924SB67981

Database identifiers

CAS: 59412-12-3
PubChem CID: 676552
DTXSID: DTXSID00350315
EC Number: 864-368-1
Nikkaji: J90.040K

Properties

Computed structural properties

XLogP: 3.8
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: 76 · 76-77 °C(Solv: hexane (110-54-3))
Boiling point: 304 · 304.0±22.0 °C(Predicted)
Density: 1.407 · 1.407±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.77 · -0.77±0.50(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933499090 · 2933499090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.