1,1,2-Trichloro-3,3,3-trifluoro-1-propene

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  • Identifiers

    CAS number
    431-52-7

    Molecular formula
    C3Cl3F3

    SMILES
    C(=C(Cl)Cl)(C(F)(F)F)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 48.31%
    Sweet 32.67%
    Woody 28.37%
    Balsamic 21.78%
    Cooling 21.01%
    Dry 19.85%
    Fishy 18.65%
    Clean 18.09%
    Floral 16.98%
    Animal 16.59%

     

    Flavor
    Odorless 34.32%
    Bitter 25.83%
    Bland 20.93%
    Mild 19.5%
    Nitrile 18.3%
    Oriental 17.99%
    Sweet-like 17.9%
    Bloody 17.72%
    Bouillon 17.51%
    Rotten 17.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    3.14 (weak acid)

    Molecular weight
    199.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    82°C

    Flash point

    • -4.86 ˚C est.

  • Synonyms

    • 1,1,2-Trichloro-3,3,3-trifluoropropene
    • 431-52-7
    • 1,1,2-trichloro-3,3,3-trifluoroprop-1-ene
    • 1,1,2-Trichloro-3,3,3-trifluoro-1-propene
    • 1-Propene, 1,1,2-trichloro-3,3,3-trifluoro-
    • H2MQ7F3KMQ
    • EINECS 207-075-0
    • 1,1,2-Trichlorotrifluoroprop-1-ene
    • Propene, 1,1,2-trichloro-3,3,3-trifluoro-
    • NSC-6824
    • 1,1,1-Trifluoro-2,3,3-trichloro-2-propene
    • CFC 1213XA
    • DTXSID8073184
    • NSC 6824
    • 1,1,2-Trichlorotrifluoro-1-propene
    • 1,1,1-Trifluoro-2,3,3-trichloropropene
    • 1,1,2-Trichloro-3,3,3-trifluoropropene-1
    • NSC6824
    • TCTFP
    • trifluorotrichloropropene
    • UNII-H2MQ7F3KMQ
    • SCHEMBL242971
    • DTXCID8040226
    • 1,2-Trichlorotrifluoro-1-propene
    • MFCD00013672
    • AKOS006229782
    • 1,1-Trifluoro-2,3,3-trichloropropene
    • 1,2-Trichloro-3,3,3-trifluoropropene
    • Propene,1,2-trichloro-3,3,3-trifluoro-
    • DB-051043
    • 1-Propene,1,2-trichloro-3,3,3-trifluoro-
    • NS00043893
    • 2,3,3-trichloro-1,1,1-trifluoro-2-propene
    • 1,1,2-Trichloro-3,3,3-trifluoro-1-propene #

  • Applications

    1,1,2-Trichloro-3,3,3-trifluoro-1-propene (CAS 431-52-7) is primarily used as an intermediate in the synthesis of fluorinated and chlorinated specialty chemicals. It can serve as a reactive monomer or co-monomer in fluorinated polymers and elastomers, contributing to chemical resistance and thermal stability. In coatings and inks formulations, it can act as a functional monomer to impart performance and thermal durability. It is also evaluated for use in electronics-related materials as a building block for dielectric and surface-treatment agents. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.0
    methanol 289.86
    isopropanol 164.9
    water 9.08
    ethyl acetate 228.22
    n-propanol 158.07
    acetone 417.75
    n-butanol 136.45
    acetonitrile 186.52
    DMF 729.12
    toluene 144.7
    isobutanol 109.55
    1,4-dioxane 312.21
    methyl acetate 197.53
    THF 704.5
    2-butanone 263.92
    n-pentanol 136.84
    sec-butanol 154.92
    n-hexane 89.04
    ethylene glycol 79.19
    NMP 628.49
    cyclohexane 81.75
    DMSO 965.67
    n-butyl acetate 124.42
    n-octanol 105.67
    chloroform 198.67
    n-propyl acetate 174.63
    acetic acid 97.28
    dichloromethane 263.48
    cyclohexanone 243.01
    propylene glycol 54.41
    isopropyl acetate 203.22
    DMAc 603.79
    2-ethoxyethanol 297.32
    isopentanol 125.37
    n-heptane 70.96
    ethyl formate 133.27
    1,2-dichloroethane 242.43
    n-hexanol 123.93
    2-methoxyethanol 383.73
    isobutyl acetate 75.33
    tetrachloromethane 67.45
    n-pentyl acetate 116.18
    transcutol 339.23
    n-heptanol 85.91
    ethylbenzene 130.34
    MIBK 212.17
    2-propoxyethanol 264.95
    tert-butanol 208.84
    MTBE 221.53
    2-butoxyethanol 144.65
    propionic acid 80.07
    o-xylene 152.61
    formic acid 90.7
    diethyl ether 406.97
    m-xylene 157.19
    p-xylene 119.57
    chlorobenzene 67.34
    dimethyl carbonate 170.67
    n-octane 41.35
    formamide 220.12
    cyclopentanone 382.44
    2-pentanone 315.7
    anisole 231.16
    cyclopentyl methyl ether 403.02
    gamma-butyrolactone 343.32
    1-methoxy-2-propanol 328.94
    pyridine 192.06
    3-pentanone 274.4
    furfural 242.33
    n-dodecane 25.66
    diethylene glycol 198.1
    diisopropyl ether 189.46
    tert-amyl alcohol 181.0
    acetylacetone 319.49
    n-hexadecane 27.89
    acetophenone 191.92
    methyl propionate 245.42
    isopentyl acetate 92.55
    trichloroethylene 239.73
    n-nonanol 99.66
    cyclohexanol 135.34
    benzyl alcohol 127.01
    2-ethylhexanol 90.67
    isooctanol 69.23
    dipropyl ether 209.43
    1,2-dichlorobenzene 74.13
    ethyl lactate 102.39
    propylene carbonate 143.79
    n-methylformamide 279.25
    2-pentanol 163.74
    n-pentane 114.2
    1-propoxy-2-propanol 188.15
    1-methoxy-2-propyl acetate 182.93
    2-(2-methoxypropoxy) propanol 140.94
    mesitylene 131.97
    ε-caprolactone 195.72
    p-cymene 88.11
    epichlorohydrin 363.88
    1,1,1-trichloroethane 145.2
    2-aminoethanol 103.23
    morpholine-4-carbaldehyde 434.38
    sulfolane 495.85
    2,2,4-trimethylpentane 42.83
    2-methyltetrahydrofuran 374.63
    n-hexyl acetate 135.57
    isooctane 40.34
    2-(2-butoxyethoxy)ethanol 171.68
    sec-butyl acetate 127.22
    tert-butyl acetate 222.12
    decalin 47.89
    glycerin 83.3
    diglyme 320.93
    acrylic acid 69.47
    isopropyl myristate 87.35
    n-butyric acid 101.3
    acetyl acetate 128.37
    di(2-ethylhexyl) phthalate 52.9
    ethyl propionate 201.55
    nitromethane 296.36
    1,2-diethoxyethane 218.51
    benzonitrile 89.66
    trioctyl phosphate 52.2
    1-bromopropane 201.1
    gamma-valerolactone 350.8
    n-decanol 81.03
    triethyl phosphate 78.35
    4-methyl-2-pentanol 117.61
    propionitrile 141.55
    vinylene carbonate 110.16
    1,1,2-trichlorotrifluoroethane 194.08
    DMS 109.83
    cumene 96.86
    2-octanol 87.81
    2-hexanone 208.61
    octyl acetate 92.49
    limonene 116.49
    1,2-dimethoxyethane 471.65
    ethyl orthosilicate 78.8
    tributyl phosphate 53.35
    diacetone alcohol 230.54
    N,N-dimethylaniline 251.33
    acrylonitrile 151.06
    aniline 127.35
    1,3-propanediol 138.75
    bromobenzene 71.6
    dibromomethane 217.79
    1,1,2,2-tetrachloroethane 217.07
    2-methyl-cyclohexyl acetate 100.82
    tetrabutyl urea 104.04
    diisobutyl methanol 82.46
    2-phenylethanol 117.49
    styrene 126.78
    dioctyl adipate 86.88
    dimethyl sulfate 299.31
    ethyl butyrate 140.57
    methyl lactate 151.29
    butyl lactate 80.0
    diethyl carbonate 82.71
    propanediol butyl ether 110.85
    triethyl orthoformate 101.4
    p-tert-butyltoluene 88.19
    methyl 4-tert-butylbenzoate 152.03
    morpholine 345.6
    tert-butylamine 151.46
    n-dodecanol 65.74
    dimethoxymethane 649.34
    ethylene carbonate 103.73
    cyrene 173.15
    2-ethoxyethyl acetate 135.4
    2-ethylhexyl acetate 81.65
    1,2,4-trichlorobenzene 82.88
    4-methylpyridine 208.39
    dibutyl ether 133.75
    2,6-dimethyl-4-heptanol 82.46
    DEF 392.28
    dimethyl isosorbide 271.94
    tetrachloroethylene 167.99
    eugenol 148.1
    triacetin 115.19
    span 80 107.05
    1,4-butanediol 71.87
    1,1-dichloroethane 170.58
    2-methyl-1-pentanol 109.02
    methyl formate 217.76
    2-methyl-1-butanol 112.52
    n-decane 41.99
    butyronitrile 134.04
    3,7-dimethyl-1-octanol 90.35
    1-chlorooctane 81.63
    1-chlorotetradecane 41.99
    n-nonane 43.56
    undecane 32.26
    tert-butylcyclohexane 43.92
    cyclooctane 58.62
    cyclopentanol 179.9
    tetrahydropyran 273.12
    tert-amyl methyl ether 236.02
    2,5,8-trioxanonane 246.11
    1-hexene 156.22
    2-isopropoxyethanol 214.69
    2,2,2-trifluoroethanol 73.3
    methyl butyrate 205.96

    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