1-Chloro-3-methyl-2-nitrobenzene
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 22–23 °C
- Boiling point
- 107–108 °C (at 9.5 Torr)
- logP
- 2.56Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501
Identifiers
CAS number
5367-26-0SMILES
Cc1cccc(Cl)c1[N+](=O)[O-]InChIKey
JLDKNVUJLUGIBQ-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1-chloro-3-methyl-2-nitro-
- Toluene, 3-chloro-2-nitro-
- 2-Nitro-3-chlorotoluene
- 3-Chloro-2-nitrotoluene
- 2-Chloro-6-methyl-1-nitrobenzene
- 6-Methyl-2-chloro-1-nitrobenzene
Work with 1-Chloro-3-methyl-2-nitrobenzene
Similar compounds
2,6-Dimethylnitrobenzene81-20-975 % similar
1,3-Dichloro-2-nitrobenzene601-88-771 % similar
2,3-Dinitrotoluene602-01-766 % similar
3-Bromo-2-nitrotoluene52414-97-864 % similar
1-Fluoro-3-methyl-2-nitrobenzene3013-27-262 % similar
3-Methyl-2-nitrophenol4920-77-862 % similar
1-Methoxy-3-methyl-2-nitrobenzene5345-42-660 % similar
3-Chloro-2-nitrobenzenamine59483-54-459 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.