2-Nitrobenzoyl chloride

C7H4ClNO3CAS 610-14-0185.56 g/mol

Open in Covalent MOL file
OClN+OO−
Acyl halideNitro

Properties

Molecular formula
C7H4ClNO3
Molar mass
185.56 g/mol
Exact mass
184.9880 Da
Melting point
24–25 °C
Boiling point
112 °C (at 1 Torr)
Water solubility
< 1 g/L (18.9 °C)
logP
1.97Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
610-14-0
SMILES
O=C(Cl)c1ccccc1[N+](=O)[O-]
InChIKey
BWWHTIHDQBHTHP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H

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Names and synonyms

4 names
  • Benzoyl chloride, 2-nitro-
  • Benzoyl chloride, o-nitro-
  • o-Nitrobenzoyl chloride
  • o-Nitrobenzoic acid chloride

Work with 2-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-Nitrobenzoic acid552-16-960 % similar 2'-Nitroacetophenone577-59-360 % similar Methyl 2-nitrobenzoate606-27-955 % similar 2-Bromo-2'-nitroacetophenone6851-99-655 % similar 1,2-Dinitrobenzene528-29-055 % similar Phthaloyl chloride88-95-955 % similar 2-Nitrobenzamide610-15-154 % similar 1,5-Dinitro-9,10-anthracenedione82-35-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobenzoyl chloride121-90-4 4-Nitrobenzoyl chloride122-04-3 4-Chloro-3-nitrobenzaldehyde16588-34-4 4-Chloro-2-nitrobenzaldehyde5551-11-1 2-Chloro-5-nitrobenzaldehyde6361-21-3 2-Chloro-6-nitrobenzaldehyde6361-22-4 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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