5-Chloro-2-nitrobenzonitrile

C₇H₃ClN₂O₂CAS 34662-31-2182.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₇H₃ClN₂O₂
Molar mass: 182.56 g/mol
Exact mass: 181.9883 Da
Melting point: 164–165 °C
logP: 2.12Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

34662-31-2

SMILES

N#Cc1cc(Cl)ccc1[N+](=O)[O-]

InChIKey

HPWJUEZFOUOUEO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 5-chloro-2-nitro-
3-Chloro-6-nitrobenzonitrile
1-Nitro-2-cyano-4-chlorobenzene
NSC 310024

Work with 5-Chloro-2-nitrobenzonitrile

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

5-Fluoro-2-nitrobenzonitrile50594-78-063 % similar 4-Chloro-1,2-dinitrobenzene610-40-262 % similar 2-Nitrobenzonitrile612-24-860 % similar 2,4-Dichloronitrobenzene611-06-358 % similar 5-Chloro-2-nitroaniline1635-61-655 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-255 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-855 % similar 5-Chloro-2-nitro-N-phenylbenzenamine25781-92-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,1,3-Benzoxadiazole-5-carbonyl chloride126147-86-2 2-Chloro-5-nitrobenzonitrile16588-02-6 2-Chloro-4-nitrobenzonitrile28163-00-0 4-Chloro-2-nitrobenzonitrile34662-32-3 6-Chloro-2-nitrobenzonitrile6575-07-1 4-Chloro-3-nitrobenzonitrile939-80-0

Elsewhere

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