Chloropicrin

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  • Identifiers

    CAS number
    76-06-2

    Molecular formula
    CCl3NO2

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

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 66.41%
    Sweet 37.52%
    Dry 17.37%
    Clean 16.71%
    Musk 16.28%
    Bitter 16.03%
    Powdery 15.73%
    Milky 15.25%
    Creamy 14.85%
    Balsamic 14.71%

     

    Flavor
    Odorless 55.55%
    Mild 25.24%
    Bitter 25.14%
    Bland 24.22%
    Sweet-like 20.24%
    Yeast 19.13%
    Mousy 18.74%
    Nitrile 18.68%
    Rotten 18.25%
    Bread crust 18.25%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 1.1 [mmHg]. Odor threshold from CHEMINFO
    • Threshold odor concn: 1.1 ppm
    • Faint odor at 0.0073 mg/L
    • The odor threshold is reportedly 0.78 ppm for chloropicrin. Definitive exposure-response data for humans comes from sensory irritation studies conducted with human volunteers. More sensitive individuals exposed for 20-30 minutes reported chloropicrin concentration of 150 ppb (0.150 ppm) to be detectable as determined by notable ocular and nasal irritation. Exposure to 50 ppb (0.050 ppm) was reported as a No- Observed-Adverse-Effect-Level (NOAEL) for volunteer subjects (males and females; ages 18-35 years and including sensitive individuals).
    • Effects of various concentrations of trichloronitromethane in humans ...odor was detectable at 0.0073 mg/L (1.1 ppm); 0.002-0.025 mg/L (0.3-3.7 ppm) for 3-30 sec resulted in closing of eyelids according to individual sensitivity. /from table/

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    2.64 (strong acid)

    Molecular weight
    164.37 g/mol

    Melting point expt.

    • -92.6 °F (NTP, 1992)
    • -64 °C (-69.2 °C corr)
    • -64 °C
    • -93 °F

    Boiling point

    • 234 °F at 760 mmHg (NTP, 1992)
    • 112 °C at 757 mm Hg
    • 112 °C
    • 234 °F

    Flash point

    • 52.59 ˚C est.

    Solubility expt.

    • 1 to 5 mg/mL at 72 °F (NTP, 1992)
    • Miscible with most organic solvents, e.g. acetone, benzene, ethanol, methanol, carbon disulfide, diethyl ether, carbon tetrachloride
    • Miscible with absolute alcohol; soluble in ether
    • Miscible with acetic acid
    • 0.19 g/100 ml H2O at 20 °C
    • For more Solubility (Complete) data for CHLOROPICRIN (6 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 25 °C: 0.162
    • 0.2%

  • Synonyms

    • CHLOROPICRIN
    • Trichloronitromethane
    • 76-06-2
    • Nitrochloroform
    • Nitrotrichloromethane
    • Chlorpikrin
    • Trichlornitromethan
    • Larvacide
    • Microlysin
    • Picfume
    • Nemax
    • trichloro(nitro)methane
    • Methane, trichloronitro-
    • Chlor-O-pic
    • Chloropicrine
    • Dojyopicrin
    • Dolochlor
    • Picride
    • Pic-Clor
    • Tri-Clor
    • Chloorpikrine
    • Chloroform, nitro-
    • Cloropicrina
    • Larvacide 100
    • Profume A
    • Trichloornitromethaan
    • Chlorpicrin
    • KLOP
    • Tricloro-nitro-metano
    • Caswell No. 214
    • TRI-CON
    • CCl3NO2
    • Chloropicrin [BSI:ISO]
    • NCI-C00533
    • Chloropicrine [ISO-French]
    • NSC 8743
    • trichloro-nitromethane
    • 1,1,1-trichloronitromethane
    • CCRIS 146
    • HSDB 977
    • Cl3CNO2
    • G 25
    • OG 25
    • UNII-I4JTX7Z7U2
    • EINECS 200-930-9
    • I4JTX7Z7U2
    • Chloropicrin, liquid
    • EPA Pesticide Chemical Code 081501
    • BRN 1756135
    • DTXSID0020315
    • CHEBI:39285
    • AI3-00027
    • Nitrotrichloromethane, Trichloronitromethane
    • NSC-8743
    • CHLOROPICRIN [MI]
    • CHLOROPICRIN [ISO]
    • CHLOROPICRIN [HSDB]
    • CHLOROPICRIN [MART.]
    • NA 1583 (Salt/Mix)
    • UN 1583 (Salt/Mix)
    • DTXCID00315
    • 1,2-Diacylglycerol-LD-PS-pool
    • Nitromethane, 1,1,1-trichloro-
    • 4-01-00-00106 (Beilstein Handbook Reference)
    • UN 1580
    • Chloropicrine (ISO-French)
    • CHLOROPICRIN (MART.)
    • CHLOROPICRIN, (LIQUID)
    • CHLOROPICRIN, [LIQUID]
    • Chlorpikrin [German]
    • Chloorpikrine [Dutch]
    • Chloropicrine [French]
    • Cloropicrina [Italian]
    • Aquinite
    • Trichlornitromethan [German]
    • Trichloornitromethaan [Dutch]
    • Chloropicrin, absorbed
    • Tricloro-nitro-metano [Italian]
    • UN1580
    • UN1583
    • Nitrochloroform; Chloropicrin; Trichloronitromethane; Acquinite
    • Vomiting gas
    • Agent PS
    • TCNM
    • Methane, (absorbed)
    • WLN: WNXGGG
    • NITROTRICHLORO METHANE
    • Chloropicrin (ACGIH:OSHA)
    • SCHEMBL75169
    • Nitrotrichloromethane (OSHA)
    • WLN: WNXGGG -ABSORBED
    • GTPL6292
    • CHEMBL1327143
    • Chloropicrin, analytical standard
    • NSC8743
    • CHLOROPICRIN, LIQUID (DOT)
    • Tox21_201570
    • Chloropicrin [UN1580] [Poison]
    • AKOS009031488
    • CAS-76-06-2
    • USEPA/OPP Pesticide Code: 081501
    • NCGC00090895-01
    • NCGC00090895-02
    • NCGC00090895-03
    • NCGC00259119-01
    • Chloropicrin 100 microg/mL in Acetonitrile
    • DB-056020
    • NS00002373
    • C18445
    • Q423065
    • Trichloronitromethane, PESTANAL(R), analytical standard

  • Applications

    Chloropicrin (CAS 76-06-2) is primarily used as a soil fumigant and soil disinfestant in agriculture, helping control nematodes, fungi, and insects in pre-plant treatments and in greenhouse substrates. It is also applied as part of fumigation protocols for stored products and quarantine treatments to manage pests in warehouses or during shipping. In chemical manufacturing, chloropicrin serves as an intermediate in the synthesis of other agrochemicals and specialty chlorinated nitro compounds. Historically and in certain regulatory contexts, it has been used as a lachrymatory irritant (tear gas) and as a warning agent in fumigation; these uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.09
    methanol 168.88
    isopropanol 90.27
    water 21.43
    ethyl acetate 81.44
    n-propanol 93.23
    acetone 251.92
    n-butanol 82.37
    acetonitrile 133.37
    DMF 668.22
    toluene 33.01
    isobutanol 70.49
    1,4-dioxane 153.87
    methyl acetate 115.26
    THF 328.2
    2-butanone 168.6
    n-pentanol 73.02
    sec-butanol 89.06
    n-hexane 21.46
    ethylene glycol 68.36
    NMP 515.5
    cyclohexane 22.58
    DMSO 599.74
    n-butyl acetate 62.22
    n-octanol 48.7
    chloroform 54.06
    n-propyl acetate 84.69
    acetic acid 76.52
    dichloromethane 78.15
    cyclohexanone 140.06
    propylene glycol 49.89
    isopropyl acetate 62.71
    DMAc 598.01
    2-ethoxyethanol 165.23
    isopentanol 69.24
    n-heptane 24.77
    ethyl formate 83.44
    1,2-dichloroethane 76.21
    n-hexanol 58.18
    2-methoxyethanol 237.45
    isobutyl acetate 46.27
    tetrachloromethane 14.19
    n-pentyl acetate 48.02
    transcutol 202.99
    n-heptanol 38.73
    ethylbenzene 31.48
    MIBK 88.62
    2-propoxyethanol 131.13
    tert-butanol 109.52
    MTBE 114.85
    2-butoxyethanol 71.26
    propionic acid 56.35
    o-xylene 43.59
    formic acid 89.06
    diethyl ether 120.69
    m-xylene 35.71
    p-xylene 39.18
    chlorobenzene 21.84
    dimethyl carbonate 81.67
    n-octane 12.07
    formamide 165.71
    cyclopentanone 206.9
    2-pentanone 136.0
    anisole 86.69
    cyclopentyl methyl ether 145.37
    gamma-butyrolactone 177.26
    1-methoxy-2-propanol 176.51
    pyridine 98.57
    3-pentanone 122.71
    furfural 160.14
    n-dodecane 9.14
    diethylene glycol 121.27
    diisopropyl ether 47.25
    tert-amyl alcohol 108.7
    acetylacetone 138.39
    n-hexadecane 9.73
    acetophenone 96.91
    methyl propionate 107.07
    isopentyl acetate 50.78
    trichloroethylene 76.91
    n-nonanol 45.44
    cyclohexanol 74.73
    benzyl alcohol 67.06
    2-ethylhexanol 46.29
    isooctanol 32.8
    dipropyl ether 83.63
    1,2-dichlorobenzene 23.63
    ethyl lactate 63.96
    propylene carbonate 83.31
    n-methylformamide 215.03
    2-pentanol 73.06
    n-pentane 28.56
    1-propoxy-2-propanol 101.62
    1-methoxy-2-propyl acetate 82.95
    2-(2-methoxypropoxy) propanol 98.18
    mesitylene 30.49
    ε-caprolactone 108.32
    p-cymene 32.11
    epichlorohydrin 162.69
    1,1,1-trichloroethane 41.07
    2-aminoethanol 81.03
    morpholine-4-carbaldehyde 351.26
    sulfolane 284.39
    2,2,4-trimethylpentane 15.0
    2-methyltetrahydrofuran 176.04
    n-hexyl acetate 57.94
    isooctane 10.73
    2-(2-butoxyethoxy)ethanol 98.99
    sec-butyl acetate 55.32
    tert-butyl acetate 74.54
    decalin 13.67
    glycerin 82.58
    diglyme 196.71
    acrylic acid 58.32
    isopropyl myristate 37.54
    n-butyric acid 57.56
    acetyl acetate 46.82
    di(2-ethylhexyl) phthalate 33.12
    ethyl propionate 87.04
    nitromethane 233.13
    1,2-diethoxyethane 100.95
    benzonitrile 52.24
    trioctyl phosphate 28.51
    1-bromopropane 64.43
    gamma-valerolactone 224.91
    n-decanol 37.53
    triethyl phosphate 46.11
    4-methyl-2-pentanol 48.25
    propionitrile 91.05
    vinylene carbonate 68.85
    1,1,2-trichlorotrifluoroethane 116.1
    DMS 55.61
    cumene 28.57
    2-octanol 35.41
    2-hexanone 110.0
    octyl acetate 43.85
    limonene 48.01
    1,2-dimethoxyethane 312.0
    ethyl orthosilicate 44.48
    tributyl phosphate 32.97
    diacetone alcohol 112.92
    N,N-dimethylaniline 107.59
    acrylonitrile 102.45
    aniline 54.05
    1,3-propanediol 86.38
    bromobenzene 18.13
    dibromomethane 58.56
    1,1,2,2-tetrachloroethane 72.88
    2-methyl-cyclohexyl acetate 56.06
    tetrabutyl urea 67.76
    diisobutyl methanol 38.17
    2-phenylethanol 52.14
    styrene 32.84
    dioctyl adipate 54.04
    dimethyl sulfate 155.91
    ethyl butyrate 70.25
    methyl lactate 83.95
    butyl lactate 47.38
    diethyl carbonate 46.57
    propanediol butyl ether 65.71
    triethyl orthoformate 57.55
    p-tert-butyltoluene 32.71
    methyl 4-tert-butylbenzoate 76.21
    morpholine 204.83
    tert-butylamine 74.03
    n-dodecanol 31.6
    dimethoxymethane 294.83
    ethylene carbonate 58.58
    cyrene 124.04
    2-ethoxyethyl acetate 62.94
    2-ethylhexyl acetate 44.74
    1,2,4-trichlorobenzene 31.35
    4-methylpyridine 107.57
    dibutyl ether 57.02
    2,6-dimethyl-4-heptanol 38.17
    DEF 219.53
    dimethyl isosorbide 155.44
    tetrachloroethylene 46.42
    eugenol 75.34
    triacetin 68.64
    span 80 61.96
    1,4-butanediol 56.21
    1,1-dichloroethane 54.6
    2-methyl-1-pentanol 61.3
    methyl formate 170.1
    2-methyl-1-butanol 73.4
    n-decane 14.0
    butyronitrile 79.93
    3,7-dimethyl-1-octanol 44.49
    1-chlorooctane 29.89
    1-chlorotetradecane 16.48
    n-nonane 14.19
    undecane 10.95
    tert-butylcyclohexane 12.82
    cyclooctane 13.18
    cyclopentanol 96.64
    tetrahydropyran 124.9
    tert-amyl methyl ether 116.4
    2,5,8-trioxanonane 157.27
    1-hexene 47.76
    2-isopropoxyethanol 111.39
    2,2,2-trifluoroethanol 63.62
    methyl butyrate 109.62

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction