Molecule ID: 6423

IUPAC Name: trichloro(nitro)methane

Description: The molecule is a C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union. It has a role as a fumigant insecticide, a nematicide and an antifungal agrochemical. It is a C-nitro compound, a one-carbon compound and an organochlorine compound.

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

SELFIES: [O][=N+1][Branch1][C][O-1][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

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

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 2.1