Picryl chloride
Properties
- Molecular formula
- C6H2ClN3O6
- Molar mass
- 247.55 g/mol
- Exact mass
- 246.9632 Da
- Density
- 1.797 g/mL (at 20 °C)
- Melting point
- 83 °C
- Boiling point
- 375 °C
- Water solubility
- 530 mg/L (16 °C)
- logP
- 2.06Crippen estimate
- Polar surface area
- 129.4 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 3
Hazards
Danger
- H201 (Deleted) Explosive; mass explosion hazardExplosives
- H300 Fatal if swallowedAcute toxicity, oral
- H310 Fatal in contact with skinAcute toxicity, dermal
- H330 Fatal if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 610-004-00-X), via PubChem.
Precautionary statements
P210, P230, P240, P250, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P370+P380, P372, P373, P391, P401, P403+P233, P405, P501
Identifiers
CAS number
88-88-0SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1InChIKey
HJRJRUMKQCMYDL-UHFFFAOYSA-NInChI
InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 2-chloro-1,3,5-trinitro-
- 2-Chloro-1,3,5-trinitrobenzene
- 2,4,6-Trinitro-1-chlorobenzene
- 2,4,6-Trinitrochlorobenzene
- 1-Chloro-2,4,6-trinitrobenzene
- NSC 106297
- NSC 1872
Work with Picryl chloride
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-Chloro-3,5-dinitrobenzotrifluoride392-95-067 % similar
2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-366 % similar
1,2,3-Trichloro-5-nitrobenzene20098-48-064 % similar
2-Chloro-1,3-dinitrobenzene606-21-363 % similar
2-Chloro-3,5-dinitrobenzoic acid2497-91-863 % similar
1,3,6,8-Tetranitronaphthalene28995-89-361 % similar
1,2,3,4-Tetrachloro-5-nitrobenzene879-39-060 % similar
4-Chloro-3,5-dinitrobenzonitrile1930-72-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.