Completing data — usually done within a minute
Basic information
- Standard SMILES
O=[N+]([O-])C(Cl)(Cl)Cl- InChIKey
LFHISGNCFUNFFM-UHFFFAOYSA-N- Molecular formula
- CCl3NO2
- Average molar mass
- 164.375 g/mol
- Monoisotopic mass
- 162.89946128
Names & identifiers
- Preferred name
- Trichloronitromethane
- IUPAC
- Trichloro(nitro)methane
- English name
- Trichloronitromethane
- Molecular formula
- CCl3NO2
- Molecular weight
- 164.38
Names & synonyms
Database identifiers
- CAS
76-06-2- PubChem CID
- 6423
- DTXSID
DTXSID0020315- ChEMBL
CHEMBL1327143- ChEBI
CHEBI:39285- UNII
- I4JTX7Z7U2
- EC Number
- 200-930-9
- Nikkaji
- J2.402C
Properties
Physicochemical properties
- Melting point
- -64 °; · -64°; mp -69.2° (corr)
- Boiling point
- 112 °C · 112 °C
- Density
- 1.657 · 1.657
- vapor pressure
- 18.3 at · 18.3 at 20 °C (Meister, 1988)
- refractive index
- 1.461 · 1.461
- storage temp.
- 0 · 0-6°C
- solubility
- Miscible with acetone, benzene, carbon disulfide, carbon tetrachloride, ether, and methanol (Worthing and Hance, 1991)
- form
- Oily Liquid
- Water Solubility
- 2 · 2,270 mg/L at 0 °C (Gunther et al., 1968) 1.621 g/L at 25 °C (quoted, Windholz et al., 1983)
- Merck
- 13 · 13,2175
- BRN
- 1756135 · 1756135
- Henry's Law Constant
- 2.44 · 2.44 (static headspace-GC, Welke et al., 1998)
- Dielectric constant
- 7.32 · 7.3200000000000003
- Exposure limits
- 0.1 ppm · ACGIH:TLV-TWA 0.1 ppm (0.67 mg/m3)OSHA:PEL-TWA 0.1 ppm (0.7 mg/m3)NIOSH:REL-TWA 0.1 ppm
- Stability
- 3 · Stable. May decompose violently if heated. Large volumes of this chemical may be shock-sensitive. Reacts violently with sodium methoxide, propargyl bromide and aniline. Incompatible with 3-bromopropyne, strong oxidizers, plastics, rubber, iron, zinc and other light metals.
- LogP
- 2.09 · 2.090
- Toxicology and Carcinogenesis
- Bioassay of Chloropicrin for Possible Carcinogenicity (CASRN 76-06-2)
- CAS DataBase Reference
- 76 · 76-06-2(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2-5
- FDA UNII
- 4 JTX7Z7U2 · I4JTX7Z7U2
- NIST Chemistry Reference
- Chloropicrin(76-06-2)
- EPA Substance Registry System
- Chloropicrin (76-06-2)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H330-H335
- Precautionary statements
- 260 · P260-P284-P305+P351+P338-P310
- Hazard Codes
- T+
- Risk Statements
- 22 · 22-26-36/37/38
- Safety Statements
- 36 · 36/37-38-45
- OEB
- C
- OEL
- 0.1 ppm · TWA: 0.1 ppm (0.7 mg/m3)
- RIDADR
- 1580 · UN 1580
- WGK Germany
- 1 · 1
- RTECS
- 6300000 · PB6300000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- I
- HS Code
- 29049030 · 29049030
- Hazardous Substances Data
- 76 · 76-06-2(Hazardous Substances Data)
- Toxicity
- 50 for · Acute oral LD50 for rats 250 mg/kg (RTECS, 1985).
- IDLA
- 2 ppm · 2 ppm
- REACH Registrations
- Active
Safety & regulation
Safety data
- OEB
- C
- OEL
- TWA: 0.1 ppm (0.7 mg/m3)
- wgk
- 1
- IDLA
- 2 ppm
- tsca
- TSCA listed
- rtecs
- PB6300000
- ridadr
- UN 1580
- hs_code
- 29049030
- Toxicity
- Acute oral LD50 for rats 250 mg/kg (RTECS, 1985).
- risk_code
- 22-26-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 36/37-38-45
- hazard_class
- 6.1
- packing_group
- I
- Hazard statements
- H302-H315-H319-H330-H335
- REACH Registrations
- Active
- Precautionary statements
- P260-P284-P305+P351+P338-P310
- Hazardous Substances Data
- 76-06-2(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionChloropicrin is a colorless to faint-yellow oily liquid with an intensely irritating and sharp odor with characteristics of tear gas. Some common trade names of products containing chloropicrin include Dolochlor, Aquinite, Nemax, Pic-Chlor, Timberfume, Profume A, Tri-Clor, and Microlysin. It has a molecular weight of 164.38, water solubility of 2000 mg l1 at 25°C, and melting and boiling points of 64 and 112°C, respectively. Chloropicrin is nonflammable and has a vapor density of 5.7 compared to the vapor density of one assigned to air. Heating above 234 F results in explosive decomposition of chloropicrin, leading to the release of toxic gases, including nitrogen oxides, phosgene, nitrosyl chloride, chlorine, and carbon monoxide. Chloropicrin is a widely used fungicide that is primarily used for preplant soil fumigation. Chloropicrin is used to fumigate stored grain and to treat soil against fungi, insects, and nematodes either as a stand-alone treatment or in combination with other fumigants like methyl bromide and sulfuryl fluoride for enhanced potency. Chloropicrin is also used to prevent internal decay of wood poles and timber caused by fungi and insects.
UsesChloropicrin is an insecticide which is used as a fumigant of stored grain and to control soil nematodes and other pests. It is also used to protect timber against internal decay.
UsesDisinfecting cereals and grains; fumigant and soil insecticide; fungicide; rat exterminator
UsesNitrochloroform is a potentially toxic disinfection byproducts generated at water treatment plants in USA.
UsesDisinfecting cereals and grains; in synthesis, especially in manufacture of methyl violet; fumigant; soil insecticide; war gas.
UsesChloropicrin (PS), nitrotrichloromethane, trichloronitromethane, nitrochloroform, is a slightly oily, colorless, pale to transparent liquid that is nearly stable. It is nonflammable, with a boiling point of approximately 235°F (112°C) and slight water solubility. The vapor density is 5.7, which is heavier than air.
General DescriptionChloropicrin mixture is a variable colored liquid usually colorless to yellow. Chloropicrin is noncombustible and the flammability of the mixture will depend on the other component of the mixture. Chloropicrin vapors are heavier than air and Trichloronitromethane is toxic by inhalation.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 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.
Related reactions
Linked notes
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