methyl phosphonothioic dichloride, (anhydrous)

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  • Identifiers

    CAS number
    676-98-2

    Molecular formula
    CH3Cl2PS

    SMILES
    CP(=S)(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 44.46%
    Sulfurous 40.77%
    Meaty 37.94%
    Savory 28.91%
    Roasted 26.48%
    Onion 25.53%
    Cooked 23.77%
    Fresh 20.66%
    Garlic 20.38%
    Alliaceous 19.61%

     

    Flavor
    Odorless 30.99%
    Sulfurous 26.96%
    Mousy 19.63%
    Sulfur 19.15%
    Sulfury 18.72%
    Bland 18.55%
    Rotten 18.53%
    Meaty 18.13%
    Formyl 17.93%
    Bouillon 17.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.63 (neutral)

    Molecular weight
    148.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    174°C

    Melting point expt.

    • -14.1 °F (USCG, 1999)

    Flash point

    • 50.55 ˚C est.
    • greater than 122 °F (USCG, 1999)

  • Synonyms

    • METHYLPHOSPHONOTHIOIC DICHLORIDE
    • 676-98-2
    • Phosphonothioic dichloride, methyl-
    • Methylthiophosphonic dichloride
    • Methyldichlorophosphine sulfide
    • Methyl phosphonothioic dichloride
    • Dichloromethylphosphine sulfide
    • Methylphosphonothioyl dichloride
    • Methanephosphonothioic dichloride
    • dichloro-methyl-sulfanylidene-lambda5-phosphane
    • EINECS 211-636-5
    • Phosphonothioicdichloride, methyl- (6CI,8CI,9CI)
    • Methylthionophosphonic dichloride
    • Methylthiophosphonic acid dichloride
    • methyl phosphonothioic dichloride, (anhydrous)
    • METHYL PHOSPHONOTHIOIC DICHLORIDE, [ANHYDROUS]
    • RCF8ALN4GS
    • Methylphosphonothiodichloride
    • SCHEMBL2457758
    • DTXSID9074270
    • TUNCWCIKOHOGJX-UHFFFAOYSA-
    • Phosphine, dichloro-methyl-thioxo-
    • BCP22546
    • AKOS006229454
    • DB-009773
    • NS00036163
    • InChI=1/CH3Cl2PS/c1-4(2,3)5/h1H3
    • Methyl phosphonous dichloride, pyrophoric liquid
    • Methyl phosphonous dichloride, pyrophoric liquid [NA2845] [Poison]
    • 211-636-5

  • Applications

    Methyl phosphonothioic dichloride, anhydrous (CAS 676-98-2) is primarily used as a reactive intermediate in the synthesis of organophosphorus compounds. It serves as a precursor to phosphonothioate esters and related derivatives, with applications in flame retardant formulations for polymers and coatings, as well as in adhesive systems and phosphorus-containing specialty polymers. It is also employed as a starting material in the synthesis of certain agrochemical phosphorus-containing products and related phosphorothioate chemistries developed in R&D. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.39
    methanol 267.33
    isopropanol 183.78
    water 29.08
    ethyl acetate 241.14
    n-propanol 177.81
    acetone 452.05
    n-butanol 176.96
    acetonitrile 231.54
    DMF 907.92
    toluene 189.89
    isobutanol 141.55
    1,4-dioxane 481.11
    methyl acetate 261.4
    THF 640.46
    2-butanone 298.54
    n-pentanol 139.64
    sec-butanol 173.82
    n-hexane 49.78
    ethylene glycol 128.98
    NMP 662.44
    cyclohexane 76.74
    DMSO 659.51
    n-butyl acetate 179.03
    n-octanol 140.5
    chloroform 444.72
    n-propyl acetate 174.58
    acetic acid 243.06
    dichloromethane 388.97
    cyclohexanone 388.03
    propylene glycol 137.55
    isopropyl acetate 191.18
    DMAc 742.4
    2-ethoxyethanol 278.83
    isopentanol 146.89
    n-heptane 64.93
    ethyl formate 208.75
    1,2-dichloroethane 271.78
    n-hexanol 167.13
    2-methoxyethanol 464.58
    isobutyl acetate 127.88
    tetrachloromethane 123.23
    n-pentyl acetate 167.35
    transcutol 431.34
    n-heptanol 127.17
    ethylbenzene 104.62
    MIBK 207.06
    2-propoxyethanol 341.69
    tert-butanol 231.75
    MTBE 231.45
    2-butoxyethanol 219.84
    propionic acid 159.57
    o-xylene 159.09
    formic acid 161.55
    diethyl ether 238.36
    m-xylene 156.24
    p-xylene 130.24
    chlorobenzene 209.8
    dimethyl carbonate 241.41
    n-octane 34.93
    formamide 237.09
    cyclopentanone 491.41
    2-pentanone 292.97
    anisole 261.29
    cyclopentyl methyl ether 321.19
    gamma-butyrolactone 429.48
    1-methoxy-2-propanol 382.26
    pyridine 313.43
    3-pentanone 244.0
    furfural 512.98
    n-dodecane 30.43
    diethylene glycol 314.23
    diisopropyl ether 128.38
    tert-amyl alcohol 197.09
    acetylacetone 400.73
    n-hexadecane 33.41
    acetophenone 236.59
    methyl propionate 248.44
    isopentyl acetate 157.2
    trichloroethylene 425.66
    n-nonanol 131.65
    cyclohexanol 189.77
    benzyl alcohol 178.26
    2-ethylhexanol 119.75
    isooctanol 106.36
    dipropyl ether 189.13
    1,2-dichlorobenzene 200.99
    ethyl lactate 136.45
    propylene carbonate 277.56
    n-methylformamide 334.82
    2-pentanol 154.23
    n-pentane 62.4
    1-propoxy-2-propanol 262.88
    1-methoxy-2-propyl acetate 261.75
    2-(2-methoxypropoxy) propanol 215.68
    mesitylene 119.05
    ε-caprolactone 304.23
    p-cymene 97.11
    epichlorohydrin 448.29
    1,1,1-trichloroethane 283.12
    2-aminoethanol 157.59
    morpholine-4-carbaldehyde 687.28
    sulfolane 556.47
    2,2,4-trimethylpentane 39.98
    2-methyltetrahydrofuran 366.61
    n-hexyl acetate 196.31
    isooctane 34.46
    2-(2-butoxyethoxy)ethanol 258.15
    sec-butyl acetate 139.43
    tert-butyl acetate 226.13
    decalin 46.1
    glycerin 216.21
    diglyme 442.37
    acrylic acid 172.29
    isopropyl myristate 114.17
    n-butyric acid 189.31
    acetyl acetate 210.3
    di(2-ethylhexyl) phthalate 108.69
    ethyl propionate 169.8
    nitromethane 470.15
    1,2-diethoxyethane 223.12
    benzonitrile 189.03
    trioctyl phosphate 88.34
    1-bromopropane 179.89
    gamma-valerolactone 665.32
    n-decanol 108.98
    triethyl phosphate 119.26
    4-methyl-2-pentanol 110.84
    propionitrile 167.39
    vinylene carbonate 262.0
    1,1,2-trichlorotrifluoroethane 360.15
    DMS 182.81
    cumene 84.59
    2-octanol 112.56
    2-hexanone 205.1
    octyl acetate 140.11
    limonene 138.32
    1,2-dimethoxyethane 494.25
    ethyl orthosilicate 116.94
    tributyl phosphate 96.98
    diacetone alcohol 259.57
    N,N-dimethylaniline 219.64
    acrylonitrile 207.34
    aniline 207.44
    1,3-propanediol 195.81
    bromobenzene 203.01
    dibromomethane 274.9
    1,1,2,2-tetrachloroethane 387.83
    2-methyl-cyclohexyl acetate 154.31
    tetrabutyl urea 140.35
    diisobutyl methanol 98.43
    2-phenylethanol 178.69
    styrene 130.55
    dioctyl adipate 144.81
    dimethyl sulfate 377.62
    ethyl butyrate 167.64
    methyl lactate 203.86
    butyl lactate 140.15
    diethyl carbonate 131.81
    propanediol butyl ether 212.88
    triethyl orthoformate 156.48
    p-tert-butyltoluene 108.19
    methyl 4-tert-butylbenzoate 222.19
    morpholine 447.09
    tert-butylamine 164.29
    n-dodecanol 92.83
    dimethoxymethane 576.0
    ethylene carbonate 222.89
    cyrene 271.05
    2-ethoxyethyl acetate 219.97
    2-ethylhexyl acetate 146.1
    1,2,4-trichlorobenzene 253.24
    4-methylpyridine 333.38
    dibutyl ether 138.34
    2,6-dimethyl-4-heptanol 98.43
    DEF 353.58
    dimethyl isosorbide 362.76
    tetrachloroethylene 244.58
    eugenol 223.04
    triacetin 222.97
    span 80 203.73
    1,4-butanediol 114.1
    1,1-dichloroethane 260.65
    2-methyl-1-pentanol 119.76
    methyl formate 319.7
    2-methyl-1-butanol 142.82
    n-decane 43.68
    butyronitrile 177.74
    3,7-dimethyl-1-octanol 123.33
    1-chlorooctane 104.64
    1-chlorotetradecane 60.92
    n-nonane 42.68
    undecane 35.3
    tert-butylcyclohexane 45.88
    cyclooctane 42.01
    cyclopentanol 222.32
    tetrahydropyran 337.68
    tert-amyl methyl ether 214.18
    2,5,8-trioxanonane 342.74
    1-hexene 99.92
    2-isopropoxyethanol 211.09
    2,2,2-trifluoroethanol 167.12
    methyl butyrate 201.21

    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