3-Nitrochlorobenzene
Properties
- Molecular formula
- C6H4ClNO2
- Molar mass
- 157.55 g/mol
- Exact mass
- 156.9931 Da
- Density
- 1.534 g/mL (at 20 °C)
- Melting point
- 46 °C
- Boiling point
- 236 °C
- Water solubility
- 273 mg/L (20 °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 swallowed43% of notifiers
- H302 Harmful if swallowed57% of notifiers
- H311 Toxic in contact with skin52.3% of notifiers
- H317 May cause an allergic skin reaction43% of notifiers
- H331 Toxic if inhaled43% of notifiers
- H351 Suspected of causing cancer43% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure44.2% of notifiers
- H400 Very toxic to aquatic life44.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects51.2% of notifiers
Aggregated from 86 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
121-73-3SMILES
O=[N+]([O-])c1cccc(Cl)c1InChIKey
KMAQZIILEGKYQZ-UHFFFAOYSA-NInChI
InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, 1-chloro-3-nitro-
- 1-Chloro-3-nitrobenzene
- 3-Chloronitrobenzene
- 3-Chloro-1-nitrobenzene
- m-Nitrochlorobenzene
- m-Chloronitrobenzene
- NSC 5502
- 3-Nitrophenyl chloride
- 3-Nitro-1-chlorobenzene
- 1-Nitro-3-chlorobenzene
Reactions
Work with 3-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
1,3-Dinitrobenzene99-65-072 % similar
3,5-Dichloronitrobenzene618-62-267 % similar
1-Fluoro-3-nitrobenzene402-67-560 % similar
N,N-Dimethyl-3-nitroaniline619-31-859 % similar
3-Nitrobiphenyl2113-58-858 % similar
Bis(3-nitrophenyl) disulfide537-91-758 % similar
3-Nitrophenol554-84-758 % similar
1-Bromo-3-nitrobenzene585-79-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds