Дихлорнитрометан

Description

Dichloronitromethane is a halogenated nitro compound of the methane series, structurally related to chloropicrin (trichloronitromethane): in the chloropicrin molecule one chlorine atom is replaced by hydrogen. Also known under the synonym Dichloropicrin.

Basic Attributes

• CAS No.: 7119-89-3
• Chemical formula: CHCl2NO2
• Molecular weight: 129.93; exact mass 129.93
• DSSTox ID: DTXSID30221387
• HS code: 2904909090
• PSA Specifications: 45.82
• XLogP3: 1.5475

Physico-chemical characteristics

• Density: 2.122 g/cm3 at 20 °C
• Boiling point: 106–107 °C
• Flash point: 23.2 °C
• Refractive index: 1.464

Chemical structure and properties

The molecule is built on the basis of a one-carbon methane skeleton with a nitro group and two chlorine atoms - an intermediate structure between dichloromethane and chloropicrin (trichloronitromethane) in the series of chlorinated nitromethanes. This structure determines the pronounced electrophilicity and reactivity of the compound, typical of halogenated nitroalkanes, as well as a relatively low flash point (23.2 °C), which places the substance in the category of flammable liquids already at room and slightly elevated temperatures. The PSA value of 45.82 demonstrates a significant contribution of the polar nitro group to the overall polarity of the small molecule, and the moderate XLogP3 value of 1.5475 indicates intermediate rather than pronounced lipophilicity.

Identification and purpose

Belongs to the chemical class of nitro compounds. Due to their structural relationship to chloropicrin, compounds of this series have historically been studied as intermediates and objects of comparison in the study of halogenated nitromethanes; Specific data on industrial use, toxicology and transport codes for this CAS number are not included in the dump and are not given in order to avoid introducing false values.

A range of chlorinated nitromethanes

In this homologous series, as the number of chlorine atoms per carbon atom increases, the molecular weight, density and boiling point of the compound increases: nitromethane, chloronitromethane, dichloronitromethane, trichloronitromethane (chloropicrin). The density of dichloronitromethane 2.122 g/cm3 is noticeably higher than the density of water, which is typical for polyhalogenated one-carbon compounds with an electron-withdrawing nitro group. The refractive index of 1.464 and high density reflect the close packing of two heavy chlorine atoms around one carbon atom.

Storage and transportation conditions

Toxicity data, UN transport codes, H and P phrases for this CAS number are not provided in the source. Given the low flash point (23.2 °C) and the relationship with chloropicrin, a substance with a tear and irritant effect, store in an airtight container, in a cool, well-ventilated area, away from sources of open flame, work using respiratory and eye protection as with a standard reagent of the class of halogenated nitro compounds.