3,5-Dichlorobenzonitrile

C₇H₃Cl₂NCAS 6575-00-4172.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃Cl₂N
Molar mass: 172.01 g/mol
Exact mass: 170.9643 Da
Melting point: 64–65 °C
logP: 2.87Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.5% of notifiers
H302 Harmful if swallowed96.4% of notifiers
H312 Harmful in contact with skin96.4% of notifiers
H315 Causes skin irritation98.2% of notifiers
H319 Causes serious eye irritation98.2% of notifiers
H332 Harmful if inhaled96.4% of notifiers
H335 May cause respiratory irritation96.4% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6575-00-4

SMILES

N#Cc1cc(Cl)cc(Cl)c1

InChIKey

PUJSUOGJGIECFQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 3,5-dichloro-
NSC 109596

Work with 3,5-Dichlorobenzonitrile

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

3-Bromo-5-chlorobenzonitrile304854-55-568 % similar 3-Chloro-5-fluorobenzonitrile327056-73-568 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-668 % similar 3-Chlorobenzonitrile766-84-763 % similar (3-Chloro-5-cyanophenyl)boronic acid915763-60-961 % similar 4-Chlorobenzonitrile623-03-057 % similar 2,6-Dichloroisonicotinonitrile32710-65-952 % similar 2,4,6-Trichlorobenzonitrile6575-05-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorobenzonitrile1194-65-6 2,5-Dichlorobenzonitrile21663-61-6 2,3-Dichlorobenzonitrile6574-97-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8

Elsewhere

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