2-Chloro-4-nitrotoluene
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 68 °C
- Boiling point
- 260 °C
- Flash point
- 138 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled43.5% of notifiers
- H302 Harmful if swallowed90.6% of notifiers
- H312 Harmful in contact with skin44.7% of notifiers
- H319 Causes serious eye irritation51.8% of notifiers
- H332 Harmful if inhaled44.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects50.6% of notifiers
Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
121-86-8SMILES
Cc1ccc([N+](=O)[O-])cc1ClInChIKey
LLYXJBROWQDVMI-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzene, 2-chloro-1-methyl-4-nitro-
- Toluene, 2-chloro-4-nitro-
- 2-Chloro-1-methyl-4-nitrobenzene
- 3-Chloro-4-methylnitrobenzene
- 2-Chloro-4-nitro-1-methylbenzene
- 1-Chloro-2-methyl-5-nitrobenzene
- 4-Nitro-2-chlorotoluene
- 2-Chloro-4-nitrophenylmethane
- NSC 60111
- 3-Chloro-4-methyl-1-nitrobenzene
- 1-Methyl-2-chloro-4-nitrobenzene
Work with 2-Chloro-4-nitrotoluene
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
4-Nitro-o-xylene99-51-468 % similar
1,2-Dichloro-4-nitrobenzene99-54-768 % similar
2-Chloro-1-iodo-4-nitrobenzene41252-96-465 % similar
2,4-Dinitrotoluene121-14-264 % similar
2-Iodo-1-methyl-4-nitrobenzene7745-92-862 % similar
1,3-Dichloro-2-methyl-5-nitrobenzene7149-69-161 % similar
2-Chloro-4-nitroaniline121-87-960 % similar
2-Fluoro-1-methyl-4-nitrobenzene1427-07-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Nitrobenzyl chloride100-14-1
1-Chloro-2-methyl-4-nitrobenzene13290-74-9
2-Amino-6-chlorobenzoic acid2148-56-3
3-Amino-5-chlorobenzoic acid21961-30-8
Methyl 4-chloropicolinate24484-93-3
4-Amino-2-chlorobenzoic acid2457-76-3
4-Amino-3-chlorobenzoic acid2486-71-7
2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-5