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76-06-2

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Basic Information
CAS No.: 76-06-2
Name: Trichloronitromethane
Article Data: 55
Molecular Structure:
Molecular Structure of 76-06-2 (Trichloronitromethane)
Formula: CCl3 N O2
Molecular Weight: 164.375
Synonyms: Acquinite;Chloropicrin; Chlorpicrin; G 25; Larvacide; Microlysin; NSC 8743;Nitrochloroform; Nitrotrichloromethane; PS; Picfume; Trichloronitromethane
EINECS: 200-930-9
Density: 1.657
Melting Point: -60 C
Boiling Point: 112 C
Flash Point: 73 C
Solubility: Soluble <
Appearance: colorless oily liquid
Hazard Symbols:
Risk Codes: R22;R26;R36/37/38   
Transport Information: UN 1580
PSA: 45.82000
LogP: 2.11400
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Chemistry

Product Name: Trichloronitromethane  
CAS: 76-06-2
Formula: CCl3NO2
Molecular Weight: 164.38
Molecular Structure of Trichloronitromethane (76-06-2):

Density: 1.786 g/cm
Flash Point: 13 °C
Boiling Point: 112 °C at 760 mmHg
Index of Refraction: 1.503 
Molar Refractivity: 27.21 cm
Molar Volume: 92 cm
Polarizability: 10.78×10-24cm
Surface Tension: 46.9 dyne/cm 
Appearance: oily colourless liquid
Enthalpy of Vaporization: 35.06 kJ/mol  
Vapour Pressure: 22.2 mmHg at 25°C 
Water Solubility: 1.058e+005(mg/L) at 25°C
Product Categories: organics

Toxicity Data With Reference

1.    

mma-sat 50 µg/plate

    MUREAV    Mutation Research. 116 (1983),185.
2.    

orl-mus TDLo:26 g/kg/78 W-I:ETA

    NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-65 ,1978.
3.    

ihl-hmn TCLo:2 mg/m3:EYE,PUL

    ZGEMAZ    Zeitschrift fuer die Gesamte Experimentelle Medizin. 106 (1939),296.
4.    

ihl-hmn TCLo:2000 mg/m3/10M

    34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,169.
5.    

orl-rat LD50:250 mg/kg

    DOWCC*    Dow Chemical Company Reports .(Dow Chemical U.S.A., Health and Environment Research, Toxicology Research Lab.,Midland, MI.: )1972.
6.    

ihl-mus LC50:1600 mg/m3/10M

    NDRC**    National Defense Research Committee, Office of Scientific Research and Development, Progress Report NDCrc-132, an,42 .
7.    

ipr-mus LD50:25 mg/kg

    KHFZAN    Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 10 (6)(1975),53.
8.    

ihl-cat LCLo:800 mg/m3/20M

    ZGEMAZ    Zeitschrift fuer die Gesamte Experimentelle Medizin. 106 (1939),296.
9.    

ihl-rbt LC50:800 mg/m3/20M

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: ),1991,C72.

Consensus Reports

NCI Carcinogenesis Bioassay (gavage); No Evidence: mouse NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-GC-TR-65 ,1978. . Reported in EPA TSCA Inventory.

Safety Profile

cPoison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by inhalation. Human systemic effects by inhalation: lachrymation, conjunctiva irritation, and pulmonary changes. Mutation data reported. A powerful irritant that affects all body surfaces. It causes lachrymation, vomiting, bronchitis, pulmonary edema, irritation to gastrointestinal and respiratory tracts. Questionable carcinogen with experimental tumorigenic data. An additional toxic effect is its reaction with SH-groups in hemoglobin, thus interfering with oxygen transport. Photochemical transformation of chloropicrin into phosgene (carboxy chloride, COCl2) has been reported. A concentration of 1 ppm causes a smarting pain in the eyes and therefore in itself constitutes a good warning of exposure. Inhalation causes vomiting, probably due to swallowing saliva in which small amounts of chloropicrin have dissolved. Its primary lethal effect is to produce lung injury and it is a difficult gas to protect oneself against because it is chemically inert and does not react with the usual chemicals used in gas masks. Four ppm is sufficient to render a worker unfit for action and 20 ppm, when breathed from 1 to 2 minutes, causes definite bronchial or pulmonary lesions. Industrially it is used as a warning agent in commercial fumigants. It is more toxic than chlorine but less so than phosgene.
Above a critical volume it can be shocked into detonation. Mixtures with 3-bromopropyne are shock- and heat-sensitive explosives. Violent reaction with aniline + heat, alcoholic sodium hydroxide, sodium methoxide, and propargyl bromide. When heated to decomposition it emits very toxic fumes of Cl and NOx.
Used for insect and rodent control in grain elevators and bins and as a soil fumigant and fungicide. See also NITRO COMPOUNDS.
Safety Information about Trichloronitromethane (76-06-2):
Hazard Codes: 
T+:
Risk Statements about Trichloronitromethane (76-06-2): 
R22: Harmful if swallowed.
R26:   Very Toxic by inhalation.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about Trichloronitromethane (76-06-2): 
S36/37: Wear suitable protective clothing and gloves.
S38: In case of insufficient ventilation, wear suitable respiratory equipment.
S45:  case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 1580
RTECS: PB6300000
HazardClass: 6.1(a)
PackingGroup: I

Standards and Recommendations

OSHA PEL: TWA 0.1 ppm
ACGIH TLV: TWA 0.1 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 0.1 ppm (0.68 mg/m3)
DOT Classification:  6.1; Label: Poison (UN 1580); DOT Class: 6.1; Label: Poison, KEEP AWAY FROM FOOD (UN 1583)

Specification

  The chemical synonyms of Trichloronitromethane (76-06-2) are 4-01-00-00106 (Beilstein Handbook Reference) ; AI3-00027 ; Acquinite ; BRN 1756135 ; CCRIS 146 ; Caswell No. 214 ; Chloorpikrine ; Chloorpikrine [Dutch] ; Chlor-O-pic ; Chloroform, nitro- ; Chloropicrin ; Chloropicrine ; Chloropicrine [French] ; Chloropicrine [ISO-French] ; Chlorpikrin ; Chlorpikrin [German] ; Cloropicrina ; Cloropicrina [Italian] ; Dojyopicrin ; Dolochlor ; EINECS 200-930-9 ; EPA Pesticide Chemical Code 081501 ; Larvacide 100 ; Methane, trichloronitro- ; Nitrochloroform ; Nitrotrichloromethane ; Nitrotrichloromethane, Trichloronitromethane ;Trichloornitromethaan ; Trichloornitromethaan [Dutch] ; Trichlornitromethan ; Trichlornitromethan [German] ; Trichloronitromethane ; Tricloro-nitro-metano ; Tricloro-nitro-metano [Italian] .Trichloronitromethane 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.