Chloropicrin

CCl₃NO₂CAS 76-06-2164.37 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: CCl₃NO₂
Molar mass: 164.37 g/mol
Exact mass: 162.8995 Da
Density: 1.6558 g/mL (at 20 °C)
Melting point: −64 °C
Boiling point: 112 °C (at 757 Torr)
Water solubility: 1.62 g/L (25 °C)
logP: 1.59Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H330 Fatal if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation

Harmonised EU classification (CLP Annex VI, index 610-001-00-3), via PubChem.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

76-06-2

SMILES

O=[N+]([O-])C(Cl)(Cl)Cl

InChIKey

LFHISGNCFUNFFM-UHFFFAOYSA-N

InChI

InChI=1S/CCl3NO2/c2-1(3,4)5(6)7

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all

Methane, trichloronitro-
Trichloronitromethane
G 25
Acquinite
Larvacide
Microlysin
Nitrochloroform
Nitrotrichloromethane
Picfume
PS
Chlorpicrin
NSC 8743
Quasar

Work with Chloropicrin

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetranitromethane509-14-850 % similar 2-Chloro-2-nitropropane594-71-850 % similar 1,1-Dichloro-1-nitroethane594-72-950 % similar Dmdnb3964-18-943 % similar 2-Methyl-2-nitropropane594-70-743 % similar Tris(hydroxymethyl)nitromethane126-11-438 % similar 2-Bromo-2-nitropropane5447-97-238 % similar Bronopol52-51-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia