4,7-Dichloroquinoline

C₉H₅Cl₂NCAS 86-98-6198.05 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₅Cl₂N
Molar mass: 198.05 g/mol
Exact mass: 196.9799 Da
Melting point: 93 °C
Boiling point: 148 °C
logP: 3.54Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation91.2% of notifiers
H317 May cause an allergic skin reaction20.6% of notifiers
H319 Causes serious eye irritation83.8% of notifiers
H335 May cause respiratory irritation66.2% of notifiers
H411 Toxic to aquatic life with long lasting effects14.7% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

86-98-6

SMILES

Clc1ccc2c(Cl)ccnc2c1

InChIKey

HXEWMTXDBOQQKO-UHFFFAOYSA-N

InChI

InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H

Weigh it out

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

Names and synonyms

2 names

Quinoline, 4,7-dichloro-
NSC 593

Reactions

4,7-DICHLOROQUINOLINE (Quinoline, 4,7-dichloro-)product

Work with 4,7-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-7-chloroquinoline1198-40-963 % similar 7-Chloro-4-hydrazinylquinoline23834-14-261 % similar 4-Chloro-7-(trifluoromethyl)quinoline346-55-457 % similar 4-Chloroquinoline611-35-857 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-052 % similar 4,4′-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline]4085-31-849 % similar 4-Chloro-6-methylquinoline18436-71-049 % similar 7-Chloroquinoline612-61-348 % 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 1,3-Dichloroisoquinoline7742-73-6

Elsewhere

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