1,1,2-Trichlorotrifluoroethane

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  • Identifiers

    CAS number
    76-13-1

    Molecular formula
    C2Cl3F3

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 52.58%
    Woody 26.34%
    Sweet 25.56%
    Fishy 23.07%
    Balsamic 21.7%
    Dry 18.34%
    Clean 18.09%
    Cooling 17.52%
    Animal 17.48%
    Amber 15.89%

     

    Flavor
    Odorless 32.82%
    Sulfurous 21.11%
    Bland 20.18%
    Mild 18.5%
    Sulfury 17.85%
    Glue 17.84%
    Bloody 17.81%
    Sweet-like 17.67%
    Bouillon 17.53%
    Skunky 17.42%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 45.0 [mmHg]. Odor Threshold High: 70.0 [mmHg]. Odor thresholds (detection at 45 ppm and recognition at 70 ppm) from CHEMINFO
    • Odor detection in air: 4.5x10+1 ppm; odor recognition in air: 6.8x10+1 ppm /Purities not specified/
    • Low: 342 mg/cu m; High: 1026 mg/cu m /From table/

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    2.57 (strong acid)

    Molecular weight
    187.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -33.5 °F (NTP, 1992)
    • -36.22 °C
    • -36 °C
    • -31 °F

    Boiling point

    • 117.9 °F at 760 mmHg (NTP, 1992)
    • 47.7 °C
    • 48 °C
    • 118 °F

    Flash point

    • 0.26 ˚C est.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • In water, 170 mg/L at 25 °C
    • Soluble in ethanol; miscible with ethyl ether and benzene
    • Solubility in water, g/100ml at 20 °C: 0.02
    • (77 °F): 0.02%

  • Synonyms

    • 1,1,2-Trichlorotrifluoroethane
    • 76-13-1
    • 1,1,2-Trichloro-1,2,2-trifluoroethane
    • CFC-113
    • Fluorocarbon 113
    • Genesolv D
    • FREON 113
    • Arcton 63
    • Arklone P
    • Freon TF
    • Refrigerant 113
    • Halocarbon 113
    • Asahifron 113
    • Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
    • Daiflon S 3
    • Genetron 113
    • Khladon 113
    • Kaiser chemicals 11
    • Refrigerant R 113
    • Forane 113
    • Frigen 113
    • Frigen 113A
    • Frigen 113TR
    • Isceon 113
    • Freon F113
    • Frigen 113 TR-T
    • Freon R 113
    • 1,1,2-Trifluorotrichloroethane
    • LEDON 113
    • 1,2,2-Trichlorotrifluoroethane
    • 1,1,2-Trifluoro-1,2,2-trichloroethane
    • R 113
    • FC 113
    • CFCl2CF2Cl
    • F 113
    • 1,2,2-Trifluorotrichloroethane
    • DTXSID6021377
    • Frigen 113 TR
    • 0739N04X3A
    • 1,1,2-Trichloro-1,2,2-trifluoroethane, technical grade
    • Propellant 113
    • Flugene 113
    • Kaltron 113MDR
    • Frigen 113tr-T
    • Frigen 113TR-N
    • Racon 113
    • Chlorofluorocarbon 113
    • Freon 113TR-T
    • Ucon fluorocarbon 113
    • R 113 (Halocarbon)
    • HSDB 145
    • EINECS 200-936-1
    • BRN 1740335
    • 1,1,2-Trichlorotrifluoroethane 100 microg/mL in Methanol
    • Arklone
    • AI3-62874
    • Delifrene LS
    • UNII-0739N04X3A
    • Distillex DS5
    • CFC 113
    • freon-113
    • R 113(Halocarbon)
    • Halon 113
    • 1,1,2-trichloro-1,2,2-trifluoro-ethane
    • Freon 113 TR-T
    • Freon TF (113)
    • SCHEMBL62713
    • 1,1,2-Trichloro-1,2,2-trifluoroethane (CFC-113)
    • 1,1,2-trichlorotrifiuoroethane
    • 1,2,2-trifluoroperchloroethane
    • CHEMBL478511
    • DTXCID601377
    • 1,1,2-tri-fluorotrichloroethane
    • 1,1,2-trifluoro-trichloroethane
    • AJDIZQLSFPQPEY-UHFFFAOYSA-
    • Trichloro 1,2,2-trifluoroethane
    • CHEBI:193131
    • Tox21_200401
    • FC 133
    • MFCD00000782
    • AKOS000120164
    • CAS-76-13-1
    • 1,1,2-trichloro-1,2,2-trifluoroetane
    • NCGC00248592-01
    • NCGC00257955-01
    • 1,2,2-trichloro-1,1,2-trifluoroethane
    • 1,1,2-trichloro -1,2,2-trifluoroethane
    • 1,1,2-Trichloro-1,2,2-trifluoro ethane
    • DB-056028
    • DESFLURANE IMPURITY G [EP IMPURITY]
    • NS00006310
    • R-113
    • 1,1,2-TRICHLOR-1,2,2-TRIFLUORETHANE
    • 1,1,2-Trichlorotrifluoroethane, Spectral Grade
    • Q161276
    • 1,1,2-Trichlorotrifluoroethane, anhydrous, 99.8%
    • InChI=1/C2Cl3F3/c3-1(4,6)2(5,7)8
    • 1,1,2-Trichlorotrifluoroethane, ReagentPlus(R), 99%
    • 1,1,2-TRICHLORO-1,2,2-TRIFLUOROETHANE [HSDB]
    • 1,1,2-Trichlorotrifluoroethane 10 microg/mL in Methanol
    • 1,1,2-Trichlorotrifluoroethane, HPLC grade, >=99.9%
    • F8889-9400
    • 1,1,2-trichloro-1,2,2-trifluoroethane 2000 microg/mL in Methanol
    • 1,1,2-Trichloro-1,2,2-trifluoroethane, for HPLC, >=99.7% (GC)
    • Trichlorotrifluoroethane, European Pharmacopoeia (EP) Reference Standard

  • Applications

    1,1,2-Trichlorotrifluoroethane (CAS 76-13-1) has historically been used as a nonflammable refrigerant and as a cleaning solvent for precision components in electronics and manufacturing. It is also employed as a blowing agent for rigid polyurethane foams and as a process solvent in specialty coatings, inks, and adhesive formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.36
    methanol 342.88
    isopropanol 136.16
    water 47.81
    ethyl acetate 90.88
    n-propanol 138.85
    acetone 293.19
    n-butanol 107.73
    acetonitrile 161.58
    DMF 761.35
    toluene 36.63
    isobutanol 89.65
    1,4-dioxane 158.55
    methyl acetate 117.68
    THF 313.85
    2-butanone 159.17
    n-pentanol 98.91
    sec-butanol 115.79
    n-hexane 22.81
    ethylene glycol 137.24
    NMP 499.33
    cyclohexane 37.09
    DMSO 1177.23
    n-butyl acetate 64.77
    n-octanol 70.13
    chloroform 74.44
    n-propyl acetate 81.3
    acetic acid 142.08
    dichloromethane 113.48
    cyclohexanone 141.62
    propylene glycol 73.56
    isopropyl acetate 67.63
    DMAc 526.46
    2-ethoxyethanol 260.43
    isopentanol 84.55
    n-heptane 40.19
    ethyl formate 88.42
    1,2-dichloroethane 115.07
    n-hexanol 72.81
    2-methoxyethanol 332.24
    isobutyl acetate 37.65
    tetrachloromethane 18.08
    n-pentyl acetate 58.68
    transcutol 382.44
    n-heptanol 56.89
    ethylbenzene 29.99
    MIBK 87.08
    2-propoxyethanol 167.15
    tert-butanol 137.25
    MTBE 101.53
    2-butoxyethanol 110.43
    propionic acid 74.56
    o-xylene 43.61
    formic acid 176.35
    diethyl ether 149.13
    m-xylene 34.95
    p-xylene 31.5
    chlorobenzene 20.73
    dimethyl carbonate 77.8
    n-octane 17.83
    formamide 359.43
    cyclopentanone 195.65
    2-pentanone 138.51
    anisole 77.86
    cyclopentyl methyl ether 147.45
    gamma-butyrolactone 175.5
    1-methoxy-2-propanol 232.62
    pyridine 129.64
    3-pentanone 116.43
    furfural 167.03
    n-dodecane 10.83
    diethylene glycol 173.05
    diisopropyl ether 50.51
    tert-amyl alcohol 113.62
    acetylacetone 145.28
    n-hexadecane 11.56
    acetophenone 94.58
    methyl propionate 111.36
    isopentyl acetate 46.04
    trichloroethylene 103.65
    n-nonanol 63.38
    cyclohexanol 96.27
    benzyl alcohol 79.82
    2-ethylhexanol 50.33
    isooctanol 45.95
    dipropyl ether 105.12
    1,2-dichlorobenzene 21.23
    ethyl lactate 69.58
    propylene carbonate 66.23
    n-methylformamide 316.71
    2-pentanol 93.89
    n-pentane 42.75
    1-propoxy-2-propanol 127.32
    1-methoxy-2-propyl acetate 89.7
    2-(2-methoxypropoxy) propanol 128.12
    mesitylene 29.53
    ε-caprolactone 109.98
    p-cymene 36.19
    epichlorohydrin 174.72
    1,1,1-trichloroethane 40.42
    2-aminoethanol 155.09
    morpholine-4-carbaldehyde 364.31
    sulfolane 303.54
    2,2,4-trimethylpentane 14.41
    2-methyltetrahydrofuran 167.44
    n-hexyl acetate 68.85
    isooctane 10.55
    2-(2-butoxyethoxy)ethanol 157.27
    sec-butyl acetate 50.1
    tert-butyl acetate 70.55
    decalin 12.4
    glycerin 113.96
    diglyme 282.18
    acrylic acid 84.08
    isopropyl myristate 39.18
    n-butyric acid 73.79
    acetyl acetate 53.26
    di(2-ethylhexyl) phthalate 33.13
    ethyl propionate 74.33
    nitromethane 301.89
    1,2-diethoxyethane 130.75
    benzonitrile 59.46
    trioctyl phosphate 30.19
    1-bromopropane 80.01
    gamma-valerolactone 220.85
    n-decanol 49.57
    triethyl phosphate 39.88
    4-methyl-2-pentanol 58.37
    propionitrile 103.41
    vinylene carbonate 58.25
    1,1,2-trichlorotrifluoroethane 147.52
    DMS 57.18
    cumene 25.4
    2-octanol 48.09
    2-hexanone 101.15
    octyl acetate 49.08
    limonene 53.44
    1,2-dimethoxyethane 339.72
    ethyl orthosilicate 38.39
    tributyl phosphate 31.68
    diacetone alcohol 120.35
    N,N-dimethylaniline 104.64
    acrylonitrile 131.05
    aniline 66.75
    1,3-propanediol 135.29
    bromobenzene 17.25
    dibromomethane 88.23
    1,1,2,2-tetrachloroethane 96.44
    2-methyl-cyclohexyl acetate 50.99
    tetrabutyl urea 72.9
    diisobutyl methanol 43.1
    2-phenylethanol 60.98
    styrene 33.43
    dioctyl adipate 56.46
    dimethyl sulfate 140.86
    ethyl butyrate 70.44
    methyl lactate 96.39
    butyl lactate 58.86
    diethyl carbonate 43.24
    propanediol butyl ether 98.25
    triethyl orthoformate 57.45
    p-tert-butyltoluene 34.06
    methyl 4-tert-butylbenzoate 91.42
    morpholine 242.76
    tert-butylamine 99.51
    n-dodecanol 39.01
    dimethoxymethane 340.01
    ethylene carbonate 51.37
    cyrene 130.46
    2-ethoxyethyl acetate 73.74
    2-ethylhexyl acetate 38.05
    1,2,4-trichlorobenzene 27.51
    4-methylpyridine 112.85
    dibutyl ether 68.38
    2,6-dimethyl-4-heptanol 43.1
    DEF 234.58
    dimethyl isosorbide 164.31
    tetrachloroethylene 70.19
    eugenol 94.61
    triacetin 76.49
    span 80 85.98
    1,4-butanediol 87.87
    1,1-dichloroethane 65.23
    2-methyl-1-pentanol 70.29
    methyl formate 207.51
    2-methyl-1-butanol 84.19
    n-decane 17.97
    butyronitrile 93.13
    3,7-dimethyl-1-octanol 54.47
    1-chlorooctane 35.32
    1-chlorotetradecane 17.85
    n-nonane 19.02
    undecane 13.48
    tert-butylcyclohexane 10.41
    cyclooctane 19.64
    cyclopentanol 111.23
    tetrahydropyran 134.04
    tert-amyl methyl ether 102.15
    2,5,8-trioxanonane 226.86
    1-hexene 48.43
    2-isopropoxyethanol 154.7
    2,2,2-trifluoroethanol 85.23
    methyl butyrate 96.57

    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