2-Chloro-1,3-dinitrobenzene
Properties
- Molecular formula
- C6H3ClN2O4
- Molar mass
- 202.55 g/mol
- Exact mass
- 201.9781 Da
- Density
- 1.6867 g/mL (at 16.5 °C)
- Melting point
- 86–87 °C
- Boiling point
- 315 °C
- Water solubility
- practically insoluble
- logP
- 2.16Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
- H400 Very toxic to aquatic life100% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
606-21-3SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1ClInChIKey
BPPMIQPXQVIZNJ-UHFFFAOYSA-NInChI
InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 2-chloro-1,3-dinitro-
- 1-Chloro-2,6-dinitrobenzene
- 2,6-Dinitrochlorobenzene
- 1,3-Dinitro-2-chlorobenzene
- 2,6-Dinitro-1-chlorobenzene
- NSC 105590
- NSC 21276
Reactions
Work with 2-Chloro-1,3-dinitrobenzene
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-Dichloronitrobenzene3209-22-177 % similar
1-Bromo-2-chloro-3-nitrobenzene3970-37-474 % similar
2-Chloro-1-fluoro-3-nitrobenzene21397-07-971 % similar
2-Chloro-1-methyl-3-nitrobenzene3970-40-971 % similar
1,2-Dinitrobenzene528-29-065 % similar
2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-165 % similar
2,3,4-Trichloronitrobenzene17700-09-364 % similar
1,5-Dinitronaphthalene605-71-064 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds