2,8-Dichloroquinoline

C9H5Cl2NCAS 4470-83-1198.05 g/mol

Open in Covalent MOL file
ClNCl
Aryl halide

Properties

Molecular formula
C9H5Cl2N
Molar mass
198.05 g/mol
Exact mass
196.9799 Da
logP
3.54Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4470-83-1
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2)Cl
InChIKey
VAXOCTXTVIVOQE-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,8-Dichloroquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,9-Dichloro-1,10-phenanthroline29176-55-467 % similar 8-Bromo-2-chloroquinoline163485-86-762 % similar 8-Chloro-2-methylquinoline3033-82-760 % similar 2-Chloro-1,10-phenanthroline7089-68-160 % similar 8-Chloroquinoline611-33-652 % similar 2-Chloroquinoline612-62-452 % similar 2,3,6-Trichloropyridine6515-09-945 % similar 2,6-Dichloropyridine2402-78-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloroquinoline1810-72-6 4,8-Dichloroquinoline21617-12-9 4,5-Dichloroquinoline21617-18-5 4,6-Dichloroquinoline4203-18-3 2,5-Dichloroquinoline59412-12-3 1,6-Dichloro-isoquinoline630421-73-7 2,4-Dichloroquinoline703-61-7 1,3-Dichloroisoquinoline7742-73-6

Elsewhere

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