2-Chloro-5-nitrobenzoyl chloride

C7H3Cl2NO3CAS 25784-91-2220.00 g/mol

Open in Covalent MOL file
OClN+OO−Cl
Acyl halideAryl halideNitro

Properties

Molecular formula
C7H3Cl2NO3
Molar mass
220.00 g/mol
Exact mass
218.9490 Da
Melting point
60–61 °C
logP
2.63Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number
25784-91-2
SMILES
O=C(Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIKey
OGLKKYALUKXVPQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H

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Names and synonyms

1 names
  • Benzoyl chloride, 2-chloro-5-nitro-

Work with 2-Chloro-5-nitrobenzoyl chloride

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-Chloro-5-nitrobenzamide16588-15-167 % similar 2′-Chloro-5′-nitroacetophenone23082-50-067 % similar 2-Chloro-5-nitrobenzoic acid2516-96-367 % similar 2-Chloro-5-nitrobenzophenone34052-37-462 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-062 % similar 1,2-Dichloro-4-nitrobenzene99-54-760 % similar 3-Nitrobenzoyl chloride121-90-459 % similar Ethyl 2-chloro-5-nitrobenzoate16588-17-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-nitrobenzoyl chloride38818-50-7 2,6-Dichloro-3-nitrobenzaldehyde5866-97-7 2-Chloro-4-nitrobenzoyl chloride7073-36-1

Elsewhere

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