2-Bromo-1-chloropropane

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  • Identifiers

    CAS number
    3017-95-6

    Molecular formula
    C3H6BrCl

    SMILES
    CC(CCl)Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 51.02%
    Cheesy 44.75%
    Ripe 33.01%
    Oily 28.02%
    Fresh 27.49%
    Citrus 26.95%
    Fatty 24.11%
    Meaty 23.45%
    Green 23.3%
    Musty 22.23%

     

    Flavor
    Sulfurous 39.55%
    Meaty 36.38%
    Fishy 32.12%
    Ammoniacal 29.3%
    Onion 27.6%
    Sulfury 27.19%
    Glue 21.08%
    Bloody 21.04%
    Ammonia 19.84%
    Cooked 19.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.23 (weak acid)

    Molecular weight
    157.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 244 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 29.02 ˚C est.

  • Synonyms

    • 2-BROMO-1-CHLOROPROPANE
    • 3017-95-6
    • Propane, 2-bromo-1-chloro-
    • 1-Chloro-2-bromopropane
    • KNA8VTX8BT
    • 2-bromo-3-chloropropane
    • NSC 8022
    • NSC-8022
    • EINECS 221-157-3
    • DTXSID30871003
    • (+/-)-2-BROMO-1-CHLOROPROPANE
    • 2-?Bromo-?1-?chloropropane (>90%)
    • (+/-)-2-Bromo-1-chloropropane; 1-Chloro-2-bromopropane; NSC 8022
    • NSC8022
    • 1Chloro2bromopropane
    • MFCD00009815
    • Propane, 2bromo1chloro
    • UNII-KNA8VTX8BT
    • 2-Bromo-1-chloro-propane
    • SCHEMBL379899
    • CHEMBL160835
    • DTXCID70818679
    • AKOS006220770
    • (+-)-2-BROMO-1-CHLOROPROPANE
    • FB172721
    • (.+-.)-2-BROMO-1-CHLOROPROPANE
    • NS00048273
    • EN300-176901
    • Q2209121
    • 2-Bromo-1-chloropropane 2000 microg/mL in Methanol
    • F0001-2454
    • 221-157-3

  • Applications

    2-Bromo-1-chloropropane (CAS 3017-95-6) is primarily used as a reactive intermediate in organic synthesis. It serves as a versatile building block to introduce vicinal halogen functionality and to enable subsequent substitutions or cross-coupling steps. In industry, typical applications include pharmaceutical and agrochemical intermediates synthesized via nucleophilic substitutions and other transformations; production of specialty polymers and plastics through halide-assisted functionalization or as a precursor to polymerizable monomers; use in coatings, inks, and adhesives as a reactive halide component for resin synthesis or post-functionalization; and exploration in fragrance-related synthesis as a potential intermediate for aroma compounds. It may also be encountered in general industrial manufacturing as a process chemical, with use and handling governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.59
    methanol 112.38
    isopropanol 108.74
    water 8.85
    ethyl acetate 111.01
    n-propanol 118.57
    acetone 224.47
    n-butanol 120.36
    acetonitrile 128.95
    DMF 207.19
    toluene 112.38
    isobutanol 98.56
    1,4-dioxane 249.79
    methyl acetate 133.32
    THF 336.05
    2-butanone 202.42
    n-pentanol 109.23
    sec-butanol 118.96
    n-hexane 30.61
    ethylene glycol 57.92
    NMP 309.01
    cyclohexane 62.45
    DMSO 225.94
    n-butyl acetate 182.49
    n-octanol 111.58
    chloroform 335.42
    n-propyl acetate 127.11
    acetic acid 208.6
    dichloromethane 247.28
    cyclohexanone 280.56
    propylene glycol 65.61
    isopropyl acetate 89.04
    DMAc 241.32
    2-ethoxyethanol 164.36
    isopentanol 107.62
    n-heptane 69.76
    ethyl formate 87.84
    1,2-dichloroethane 158.3
    n-hexanol 149.29
    2-methoxyethanol 180.21
    isobutyl acetate 107.68
    tetrachloromethane 103.05
    n-pentyl acetate 130.18
    transcutol 438.97
    n-heptanol 105.92
    ethylbenzene 70.8
    MIBK 113.48
    2-propoxyethanol 201.93
    tert-butanol 141.82
    MTBE 135.42
    2-butoxyethanol 163.27
    propionic acid 114.67
    o-xylene 106.33
    formic acid 81.74
    diethyl ether 129.72
    m-xylene 91.15
    p-xylene 98.1
    chlorobenzene 135.22
    dimethyl carbonate 54.87
    n-octane 26.9
    formamide 91.23
    cyclopentanone 286.86
    2-pentanone 163.84
    anisole 139.17
    cyclopentyl methyl ether 194.98
    gamma-butyrolactone 224.94
    1-methoxy-2-propanol 146.5
    pyridine 218.73
    3-pentanone 149.01
    furfural 242.81
    n-dodecane 22.23
    diethylene glycol 158.02
    diisopropyl ether 65.14
    tert-amyl alcohol 139.92
    acetylacetone 158.27
    n-hexadecane 24.29
    acetophenone 162.26
    methyl propionate 103.7
    isopentyl acetate 169.13
    trichloroethylene 309.41
    n-nonanol 102.66
    cyclohexanol 164.41
    benzyl alcohol 123.62
    2-ethylhexanol 132.56
    isooctanol 92.45
    dipropyl ether 165.81
    1,2-dichlorobenzene 133.02
    ethyl lactate 78.55
    propylene carbonate 134.43
    n-methylformamide 99.85
    2-pentanol 104.45
    n-pentane 39.07
    1-propoxy-2-propanol 198.87
    1-methoxy-2-propyl acetate 161.08
    2-(2-methoxypropoxy) propanol 176.86
    mesitylene 65.83
    ε-caprolactone 218.79
    p-cymene 102.93
    epichlorohydrin 240.24
    1,1,1-trichloroethane 206.43
    2-aminoethanol 84.67
    morpholine-4-carbaldehyde 280.88
    sulfolane 273.4
    2,2,4-trimethylpentane 30.33
    2-methyltetrahydrofuran 253.07
    n-hexyl acetate 145.08
    isooctane 21.51
    2-(2-butoxyethoxy)ethanol 208.28
    sec-butyl acetate 102.25
    tert-butyl acetate 119.84
    decalin 34.55
    glycerin 94.09
    diglyme 338.77
    acrylic acid 116.38
    isopropyl myristate 85.24
    n-butyric acid 130.21
    acetyl acetate 84.4
    di(2-ethylhexyl) phthalate 86.87
    ethyl propionate 95.08
    nitromethane 208.7
    1,2-diethoxyethane 210.71
    benzonitrile 139.1
    trioctyl phosphate 66.72
    1-bromopropane 126.37
    gamma-valerolactone 303.19
    n-decanol 85.29
    triethyl phosphate 89.5
    4-methyl-2-pentanol 73.57
    propionitrile 100.18
    vinylene carbonate 125.3
    1,1,2-trichlorotrifluoroethane 219.83
    DMS 101.86
    cumene 62.01
    2-octanol 83.51
    2-hexanone 159.59
    octyl acetate 100.2
    limonene 155.05
    1,2-dimethoxyethane 226.61
    ethyl orthosilicate 97.04
    tributyl phosphate 74.75
    diacetone alcohol 147.91
    N,N-dimethylaniline 124.73
    acrylonitrile 112.46
    aniline 136.3
    1,3-propanediol 102.53
    bromobenzene 120.74
    dibromomethane 199.73
    1,1,2,2-tetrachloroethane 261.45
    2-methyl-cyclohexyl acetate 154.09
    tetrabutyl urea 109.72
    diisobutyl methanol 99.89
    2-phenylethanol 145.58
    styrene 82.92
    dioctyl adipate 119.76
    dimethyl sulfate 89.32
    ethyl butyrate 152.5
    methyl lactate 73.27
    butyl lactate 104.18
    diethyl carbonate 92.56
    propanediol butyl ether 154.78
    triethyl orthoformate 131.2
    p-tert-butyltoluene 103.35
    methyl 4-tert-butylbenzoate 163.73
    morpholine 251.45
    tert-butylamine 106.63
    n-dodecanol 73.56
    dimethoxymethane 130.2
    ethylene carbonate 102.63
    cyrene 179.92
    2-ethoxyethyl acetate 150.09
    2-ethylhexyl acetate 156.56
    1,2,4-trichlorobenzene 185.7
    4-methylpyridine 197.74
    dibutyl ether 126.1
    2,6-dimethyl-4-heptanol 99.89
    DEF 159.55
    dimethyl isosorbide 271.87
    tetrachloroethylene 199.53
    eugenol 162.76
    triacetin 157.64
    span 80 176.5
    1,4-butanediol 70.38
    1,1-dichloroethane 179.94
    2-methyl-1-pentanol 103.89
    methyl formate 84.32
    2-methyl-1-butanol 107.99
    n-decane 32.41
    butyronitrile 105.44
    3,7-dimethyl-1-octanol 114.13
    1-chlorooctane 82.17
    1-chlorotetradecane 43.73
    n-nonane 32.14
    undecane 25.81
    tert-butylcyclohexane 34.62
    cyclooctane 29.47
    cyclopentanol 168.53
    tetrahydropyran 240.1
    tert-amyl methyl ether 130.09
    2,5,8-trioxanonane 273.07
    1-hexene 75.28
    2-isopropoxyethanol 144.94
    2,2,2-trifluoroethanol 102.85
    methyl butyrate 124.76

    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