1-Chloro-2-methyl-4-nitrobenzene
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 42.5 °C
- Boiling point
- 249 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed98.3% of notifiers
- H312 Harmful in contact with skin15.3% of notifiers
- H315 Causes skin irritation15.3% of notifiers
- H319 Causes serious eye irritation15.3% of notifiers
- H332 Harmful if inhaled15.3% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure11.9% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
13290-74-9SMILES
Cc1cc([N+](=O)[O-])ccc1ClInChIKey
BGDCQZFFNFXYQC-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, 1-chloro-2-methyl-4-nitro-
- Toluene, 2-chloro-5-nitro-
- 4-Chloro-3-methylnitrobenzene
- 2-Chloro-5-nitrotoluene
- 2-Methyl-4-nitrochlorobenzene
- 6-Chloro-3-nitrotoluene
- 2-Methyl-4-nitro-1-chlorobenzene
- 1-Chloro-4-nitro-2-methylbenzene
Work with 1-Chloro-2-methyl-4-nitrobenzene
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
1-Chloro-2-methoxy-4-nitrobenzene1009-36-564 % similar
2,4-Dinitrochlorobenzene97-00-764 % similar
1-Iodo-2-methyl-4-nitrobenzene5326-38-562 % similar
2-Methyl-4-nitrophenol99-53-662 % similar
1-Methoxy-2-methyl-4-nitrobenzene50741-92-961 % similar
2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Nitrobenzyl chloride100-14-1
2-Chloro-4-nitrotoluene121-86-8
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