3-Nitrobenzoyl chloride
Properties
- Molecular formula
- C7H4ClNO3
- Molar mass
- 185.56 g/mol
- Exact mass
- 184.9880 Da
- Melting point
- 36 °C
- Boiling point
- 276.5 °C
- Flash point
- 112 °C
- logP
- 1.97Crippen estimate
- Polar surface area
- 60.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H311 Toxic in contact with skin89.1% of notifiers
- H312 Harmful in contact with skin10.9% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage87% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P405, P501
Identifiers
CAS number
121-90-4SMILES
O=C(Cl)c1cccc([N+](=O)[O-])c1InChIKey
NXTNASSYJUXJDV-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoyl chloride, 3-nitro-
- Benzoyl chloride, m-nitro-
- m-Nitrobenzoyl chloride
- 3-Nitrobenzoic acid chloride
- NSC 5380
Work with 3-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,5-Dinitrobenzoyl chloride99-33-270 % similar
3,3′-Dinitrobenzophenone21222-05-968 % similar
3-Nitrobenzoyl bromide13277-62-864 % similar
3′-Nitroacetophenone121-89-162 % similar
3-Nitrobenzoic acid121-92-662 % similar
3-Nitrobenzophenone2243-80-362 % similar
3,4'-Dinitrobenzophenone1469-74-561 % similar
4-Chloro-3-nitrobenzoyl chloride38818-50-761 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.