2,4-Dichloronitrobenzene
Properties
- Molecular formula
- C6H3Cl2NO2
- Molar mass
- 192.00 g/mol
- Exact mass
- 190.9541 Da
- Density
- 1.479 g/mL (at 80 °C)
- Melting point
- 34 °C
- Boiling point
- 258.5 °C
- Flash point
- 112 °C
- Water solubility
- 18.8 g/L (20 °C)
- logP
- 2.90Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed28.1% of notifiers
- H311 Toxic in contact with skin29.8% of notifiers
- H315 Causes skin irritation70.2% of notifiers
- H317 May cause an allergic skin reaction29.8% of notifiers
- H319 Causes serious eye irritation70.2% of notifiers
- H335 May cause respiratory irritation70.2% of notifiers
- H341 Suspected of causing genetic defects21.1% of notifiers
- H350 May cause cancer17.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects29.8% of notifiers
Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
611-06-3SMILES
O=[N+]([O-])c1ccc(Cl)cc1ClInChIKey
QUIMTLZDMCNYGY-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, 2,4-dichloro-1-nitro-
- 2,4-Dichloro-1-nitrobenzene
- 1,3-Dichloro-4-nitrobenzene
- 4-Nitro-1,3-dichlorobenzene
- NSC 43196
Work with 2,4-Dichloronitrobenzene
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
1,4-Dichloro-2-nitrobenzene89-61-273 % similar
4-Chloro-1,2-dinitrobenzene610-40-272 % similar
2-Chloro-4-methyl-1-nitrobenzene38939-88-766 % similar
5-Chloro-2-nitroaniline1635-61-664 % similar
2-Chloro-4-fluoro-1-nitrobenzene2106-50-564 % similar
4-Chloro-2-methyl-1-nitrobenzene5367-28-264 % similar
4-Chloro-2-fluoro-1-nitrobenzene700-37-864 % similar
3-Chloro-4-nitroaniline825-41-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds