1,2,3,4-Tetrachloro-5-nitrobenzene
Properties
- Molecular formula
- C6HCl4NO2
- Molar mass
- 260.88 g/mol
- Exact mass
- 258.8761 Da
- Melting point
- 65–66 °C
- Boiling point
- 66 °C
- Water solubility
- 7.31 mg/L (20 °C)
- logP
- 4.21Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed93% of notifiers
- H312 Harmful in contact with skin90.7% of notifiers
- H315 Causes skin irritation90.7% of notifiers
- H319 Causes serious eye irritation90.7% of notifiers
- H332 Harmful if inhaled90.7% of notifiers
- H335 May cause respiratory irritation88.4% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P403+P233, P405, P501
Identifiers
CAS number
879-39-0SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1ClInChIKey
MTBYTWZDRVOMBR-UHFFFAOYSA-NInChI
InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1,2,3,4-tetrachloro-5-nitro-
- 2,3,4,5-Tetrachloro-1-nitrobenzene
- 1-Nitro-2,3,4,5-tetrachlorobenzene
- NSC 5577
- NSC 57752
- 2,3,4,5-Tetrachloronitrobenzene
Work with 1,2,3,4-Tetrachloro-5-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
2,3,4-Trichloronitrobenzene17700-09-367 % similar
2,4,5-Trichloronitrobenzene89-69-062 % similar
2,3-Dichloronitrobenzene3209-22-161 % similar
1,2,3-Trichloro-5-nitrobenzene20098-48-060 % similar
Picryl chloride88-88-060 % similar
1,3-Dichloro-2,4-difluoro-5-nitrobenzene15952-70-259 % similar
1,3-Dichloro-4,6-dinitrobenzene3698-83-759 % similar
2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.