Halocarban

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  • Identifiers

    CAS number
    369-77-7

    Molecular formula
    C14H9Cl2F3N2O

    SMILES
    C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.07%
    Grape 32.66%
    Fruity 30.99%
    Savory 26.42%
    Animal 25.82%
    Meaty 25.39%
    Cooked 23.39%
    Cooling 22.64%
    Ripe 22.48%
    Cheesy 22.34%

     

    Flavor
    Bitter 51.65%
    Odorless 45.42%
    Mild 29.67%
    Bland 23.4%
    Nitrile 20.05%
    Sweet-like 19.84%
    Orange flower 19.06%
    Scallion 19.03%
    Very strong 18.95%
    Indole 18.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.69 (neutral)

    Molecular weight
    349.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    446°C

    Flash point

    • 180.17 ˚C est.

  • Synonyms

    • Halocarban
    • Cloflucarban
    • 369-77-7
    • Halocarbano
    • Halocarbanum
    • Trifluoromethyldichlorocarbanilide
    • 4,4'-Dichloro-3-(trifluoromethyl)carbanilide
    • DTXSID0048684
    • I5ZZY3DC5G
    • NSC-114133
    • NSC114133
    • DTXCID0028610
    • CHEBI:135477
    • N-(4-Chlorophenyl)-N'-(4-chloro-3-(tifluoromethyl)phenyl)urea
    • N-(4-Chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)urea
    • 4,4'-Dichloro-3-(trifluoromethyl)-carbanilide
    • N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]urea
    • 3-Trifluoromethyl-4,4'-dichlorocarbanilide
    • RefChem:127042
    • 206-724-5
    • Irgasan CF3
    • Cloflucarbon
    • Cloflucarban [USAN]
    • 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
    • 1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-3-(4-CHLOROPHENYL)UREA
    • Halocarban [INN]
    • MFCD00867294
    • Halocarban (INN)
    • Carbanilide, 4,4'-dichloro-3-(trifluoromethyl)- (8CI)
    • Cloflucarban (USAN)
    • TFC
    • NCGC00185743-01
    • 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-chlorophenyl)urea
    • Urea, N-(4-chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)-
    • Urea, N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-
    • CAS-369-77-7
    • UNII-I5ZZY3DC5G
    • Halocarbanum [INN-Latin]
    • Halocarbano [INN-Spanish]
    • Cloflucarban(USAN)
    • EINECS 206-724-5
    • NSC 114133
    • CLOFLUCARBAN [MI]
    • HALOCARBAN [WHO-DD]
    • 3-Trifluoromethyl-4,4'-dichloro-N,N'-diphenylurea
    • MLS004774004
    • SCHEMBL119821
    • orb1697753
    • CHEMBL1981438
    • SCHEMBL27537485
    • 1-(4-Chlorphenyl)-3-(4-chlor-3-trifluormethylphenyl)urea
    • AAA36977
    • Tox21_113070
    • 3-Trifluoromethyl-4,N'-diphenylurea
    • AKOS001047813
    • Tox21_113070_1
    • EBC-332141
    • NCGC00185743-02
    • AS-56259
    • DA-62401
    • SMR001798711
    • HY-116587
    • CS-0065987
    • NS00013539
    • 3-(Trifluoromethyl)-4,4'-dichlorocarbanilide
    • Carbanilide,4'-dichloro-3-(trifluoromethyl)-
    • D03548
    • EN300-342755
    • G76701
    • Carbanilide, 4,4'-dichloro-3-(trifluoromethyl)-
    • F603556
    • BRD-K31002570-001-01-2
    • Q27280484
    • Z44608704
    • 1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea, 97%
    • 369-77-7

  • Applications

    Halocarban (CAS 369-77-7) is a halogenated compound commonly used as an intermediate in organic synthesis and may function as a solvent or processing aid in industrial manufacturing; it is often employed as a stabilizer or processing additive in polymers and plastics to improve processing characteristics and performance; in coatings and inks it can serve as a solvent component or formulation additive; in perfumery and cosmetics it can be considered as an odorant or fixative; it is also evaluated for industrial cleaning formulations depending on the formulation system and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.98
    methanol 13.59
    isopropanol 7.75
    water 0.0
    ethyl acetate 53.17
    n-propanol 11.98
    acetone 72.18
    n-butanol 12.52
    acetonitrile 11.87
    DMF 106.72
    toluene 29.92
    isobutanol 6.72
    1,4-dioxane 51.45
    methyl acetate 40.62
    THF 266.04
    2-butanone 107.72
    n-pentanol 10.04
    sec-butanol 13.67
    n-hexane 0.19
    ethylene glycol 0.6
    NMP 78.2
    cyclohexane 0.22
    DMSO 106.71
    n-butyl acetate 42.31
    n-octanol 9.84
    chloroform 29.3
    n-propyl acetate 33.07
    acetic acid 11.4
    dichloromethane 31.54
    cyclohexanone 97.71
    propylene glycol 1.73
    isopropyl acetate 36.25
    DMAc 168.5
    2-ethoxyethanol 33.91
    isopentanol 11.39
    n-heptane 0.49
    ethyl formate 25.5
    1,2-dichloroethane 23.01
    n-hexanol 14.1
    2-methoxyethanol 50.08
    isobutyl acetate 11.41
    tetrachloromethane 1.08
    n-pentyl acetate 28.59
    transcutol 84.32
    n-heptanol 9.52
    ethylbenzene 10.48
    MIBK 35.13
    2-propoxyethanol 63.16
    tert-butanol 11.83
    MTBE 22.86
    2-butoxyethanol 34.05
    propionic acid 8.33
    o-xylene 13.69
    formic acid 3.82
    diethyl ether 26.83
    m-xylene 12.61
    p-xylene 9.31
    chlorobenzene 9.45
    dimethyl carbonate 18.71
    n-octane 0.33
    formamide 11.5
    cyclopentanone 128.07
    2-pentanone 82.24
    anisole 36.65
    cyclopentyl methyl ether 42.67
    gamma-butyrolactone 84.46
    1-methoxy-2-propanol 45.98
    pyridine 69.87
    3-pentanone 55.48
    furfural 69.36
    n-dodecane 0.54
    diethylene glycol 23.22
    diisopropyl ether 5.85
    tert-amyl alcohol 16.35
    acetylacetone 82.62
    n-hexadecane 0.64
    acetophenone 37.28
    methyl propionate 46.22
    isopentyl acetate 29.08
    trichloroethylene 52.29
    n-nonanol 10.77
    cyclohexanol 9.37
    benzyl alcohol 18.08
    2-ethylhexanol 9.6
    isooctanol 7.47
    dipropyl ether 20.47
    1,2-dichlorobenzene 8.86
    ethyl lactate 14.73
    propylene carbonate 31.97
    n-methylformamide 30.9
    2-pentanol 9.81
    n-pentane 0.28
    1-propoxy-2-propanol 42.92
    1-methoxy-2-propyl acetate 59.91
    2-(2-methoxypropoxy) propanol 41.18
    mesitylene 5.35
    ε-caprolactone 68.25
    p-cymene 7.52
    epichlorohydrin 128.99
    1,1,1-trichloroethane 12.87
    2-aminoethanol 3.14
    morpholine-4-carbaldehyde 86.84
    sulfolane 83.72
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 86.7
    n-hexyl acetate 33.27
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 51.01
    sec-butyl acetate 23.86
    tert-butyl acetate 42.11
    decalin 0.41
    glycerin 3.55
    diglyme 93.12
    acrylic acid 6.41
    isopropyl myristate 15.4
    n-butyric acid 22.46
    acetyl acetate 21.41
    di(2-ethylhexyl) phthalate 13.96
    ethyl propionate 36.3
    nitromethane 52.77
    1,2-diethoxyethane 45.56
    benzonitrile 19.89
    trioctyl phosphate 9.77
    1-bromopropane 18.59
    gamma-valerolactone 154.03
    n-decanol 8.27
    triethyl phosphate 14.91
    4-methyl-2-pentanol 6.57
    propionitrile 16.55
    vinylene carbonate 25.58
    1,1,2-trichlorotrifluoroethane 38.23
    DMS 24.8
    cumene 5.07
    2-octanol 8.29
    2-hexanone 51.03
    octyl acetate 20.11
    limonene 10.25
    1,2-dimethoxyethane 110.58
    ethyl orthosilicate 13.3
    tributyl phosphate 12.55
    diacetone alcohol 48.3
    N,N-dimethylaniline 21.53
    acrylonitrile 21.13
    aniline 17.67
    1,3-propanediol 8.67
    bromobenzene 9.4
    dibromomethane 18.89
    1,1,2,2-tetrachloroethane 35.95
    2-methyl-cyclohexyl acetate 23.69
    tetrabutyl urea 27.35
    diisobutyl methanol 6.99
    2-phenylethanol 27.56
    styrene 11.65
    dioctyl adipate 21.95
    dimethyl sulfate 27.67
    ethyl butyrate 36.96
    methyl lactate 19.11
    butyl lactate 22.61
    diethyl carbonate 17.75
    propanediol butyl ether 21.96
    triethyl orthoformate 23.05
    p-tert-butyltoluene 7.08
    methyl 4-tert-butylbenzoate 35.41
    morpholine 70.65
    tert-butylamine 4.94
    n-dodecanol 6.12
    dimethoxymethane 87.42
    ethylene carbonate 20.19
    cyrene 31.48
    2-ethoxyethyl acetate 43.56
    2-ethylhexyl acetate 23.52
    1,2,4-trichlorobenzene 12.84
    4-methylpyridine 67.23
    dibutyl ether 17.18
    2,6-dimethyl-4-heptanol 6.99
    DEF 77.26
    dimethyl isosorbide 79.96
    tetrachloroethylene 16.43
    eugenol 36.05
    triacetin 26.26
    span 80 26.57
    1,4-butanediol 2.47
    1,1-dichloroethane 17.09
    2-methyl-1-pentanol 10.76
    methyl formate 25.09
    2-methyl-1-butanol 11.83
    n-decane 0.8
    butyronitrile 22.31
    3,7-dimethyl-1-octanol 9.51
    1-chlorooctane 5.45
    1-chlorotetradecane 2.44
    n-nonane 0.61
    undecane 0.66
    tert-butylcyclohexane 0.43
    cyclooctane 0.12
    cyclopentanol 11.43
    tetrahydropyran 53.15
    tert-amyl methyl ether 26.17
    2,5,8-trioxanonane 70.53
    1-hexene 3.24
    2-isopropoxyethanol 19.72
    2,2,2-trifluoroethanol 3.37
    methyl butyrate 47.65

    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