2-Nitrochlorobenzene
Properties
- Molecular formula
- C6H4ClNO2
- Molar mass
- 157.55 g/mol
- Exact mass
- 156.9931 Da
- Density
- 1.368–3 g/mL (at 242 °C)
- Melting point
- 32 °C
- Boiling point
- 245.5 °C
- Flash point
- 124 °C (closed cup)
- Water solubility
- 441 mg/L (25 °C)
- logP
- 2.25Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed93.6% of notifiers
- H311 Toxic in contact with skin93.6% of notifiers
- H331 Toxic if inhaled64.7% of notifiers
- H350 May cause cancer61.3% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure68.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects61.8% of notifiers
Aggregated from 173 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
88-73-3SMILES
O=[N+]([O-])c1ccccc1ClInChIKey
BFCFYVKQTRLZHA-UHFFFAOYSA-NInChI
InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzene, 1-chloro-2-nitro-
- 1-Chloro-2-nitrobenzene
- o-Chloronitrobenzene
- 2-Chloro-1-nitrobenzene
- o-Nitrochlorobenzene
- ONCB
- 2-Chloronitrobenzene
- 1-Nitro-2-chlorobenzene
- NSC 36934
- 2-Nitrophenyl chloride
- 2-Nitro-1-chlorobenzene
- o-Nitrobenzene chloride
Work with 2-Nitrochlorobenzene
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
2,3-Dichloronitrobenzene3209-22-171 % similar
1-Chloro-2-fluoro-3-nitrobenzene2106-49-269 % similar
2-Bromo-1-chloro-3-nitrobenzene19128-48-467 % similar
1,2-Dinitrobenzene528-29-067 % similar
2-Chloro-6-nitrophenol603-86-167 % similar
2-Chloro-6-nitrobenzenamine769-11-967 % similar
1-Chloro-2-methyl-3-nitrobenzene83-42-167 % similar
6-Chloro-2-nitrobenzonitrile6575-07-166 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds