1,2-Dibromo-2,4-dicyanobutane

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  • Identifiers

    CAS number
    35691-65-7

    Molecular formula
    C6H6Br2N2

    SMILES
    C(CC(CBr)(C#N)Br)C#N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 37.03%
    Floral 36.71%
    Odorless 28.45%
    Citrus 27.64%
    Fresh 27.09%
    Woody 25.38%
    Fishy 25.23%
    Waxy 22.3%
    Dry 21.72%
    Spicy 21.32%

     

    Flavor
    Bitter 49.93%
    Odorless 26.46%
    Bland 22.47%
    Nitrile 17.77%
    Rotten 16.46%
    Oriental 16.37%
    Bloody 16.26%
    Sweet-like 16.21%
    Cedarleaf 16.05%
    Scallion 15.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.27 (weak acid)

    Molecular weight
    265.93 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 52 °C
    • 51-52 °C

    Boiling point

    • 212 °C

    Flash point

    • 130.82 ˚C est.

    Solubility expt.

    • Very soluble in chloroform, ethyl acetate. Soluble in methanol, ethanol, ether.
    • Very soluble in acetone, benzene, dimethylformamide
    • In water, 0.212 g/100 mL /SRC: 2.12X10+3 mg/L/
    • Solubility in water: none

  • Synonyms

    • 1,2-Dibromo-2,4-dicyanobutane
    • 35691-65-7
    • Bromothalonil
    • 2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE
    • Methyldibromo glutaronitrile
    • Methyldibromoglutaronitrile
    • DBDCB
    • Tektamer 38
    • BBMG
    • MDBGN
    • 2-Bromo-2-(bromomethyl)glutaronitrile
    • Caswell No. 114G
    • MDGN
    • 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile
    • Pentanedinitrile, 2-bromo-2-(bromomethyl)-
    • HSDB 7313
    • EINECS 252-681-0
    • UNII-YX089CPS05
    • EPA Pesticide Chemical Code 111001
    • 2-Bromo-2-(bromomethyl) glutaronitrile
    • CCRIS 9475
    • DTXSID3024944
    • CHEBI:62823
    • Glutaronitrile, 2-bromo-2-(bromomethyl)-
    • 2-Bromo-2-bromomethylglutaronitrile
    • MFCD00072483
    • BROMOTHALONIL [HSDB]
    • 2-Bromo-2-(bromomethyl) pentanedinitrile
    • DTXCID004944
    • YX089CPS05
    • Tektamer
    • METHYLDIBROMOGLUTARONITRILE [VANDF]
    • 1,2-DIBROMO-2,4-DICYANOBUTANE [MI]
    • Metacide 38
    • Tektamer 38AD
    • Tuopai DM 01
    • Tektamer-38
    • Cosmoguard
    • 1,2Dibromo2,4dicyanobutane
    • SCHEMBL154866
    • 2Bromo2bromoethylglutaronitrile
    • CHEMBL3188084
    • 2, 3-Dibromo-2,4-cyanobutane
    • 2Bromo2(bromomethyl)glutaronitrile
    • 2Bromo2(bromomethyl)pentanedinitrile
    • Tox21_301951
    • Glutaronitrile, 2bromo2(bromomethyl)
    • AKOS015900574
    • DB14199
    • FD39707
    • Pentanedinitrile, 2bromo2(bromomethyl)
    • USEPA/OPP Pesticide Code: 111001
    • NCGC00255109-01
    • AS-14360
    • SY101209
    • 2-Bromo-2-(bromomethyl)pentanedinitrile #
    • METHYLDIBROMO GLUTARONITRILE [INCI]
    • CAS-35691-65-7
    • 1Bromo1(bromomethyl)1,3propanedicarbonitrile
    • B5387
    • CS-0207140
    • NS00003747
    • 1-bromo-(bromoethyl)-1,3-propanedicarbonitrile
    • D89123
    • Methyldibromoglutaronitrile, analytical standard
    • EN300-7366556
    • Q1972088

  • Applications

    1,2-Dibromo-2,4-dicyanobutane (CAS 35691-65-7) is primarily used as an intermediate in the synthesis of specialty chemicals for industrial manufacturing; it also functions as a reactive monomer or crosslinking agent in polymers and resins. In coatings and inks, it can serve as a precursor for functional resins and curing systems; in adhesive formulations it acts as a chemical intermediate to enhance network formation; and in electronic materials research it may be explored as a precursor for specialty polymers used in electronic applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.6
    methanol 26.6
    isopropanol 12.6
    water 2.18
    ethyl acetate 48.64
    n-propanol 15.52
    acetone 96.73
    n-butanol 13.84
    acetonitrile 48.5
    DMF 193.67
    toluene 45.67
    isobutanol 12.74
    1,4-dioxane 95.25
    methyl acetate 65.2
    THF 119.82
    2-butanone 59.46
    n-pentanol 18.38
    sec-butanol 12.92
    n-hexane 3.85
    ethylene glycol 23.18
    NMP 301.96
    cyclohexane 8.15
    DMSO 201.93
    n-butyl acetate 54.8
    n-octanol 22.41
    chloroform 105.6
    n-propyl acetate 53.99
    acetic acid 61.59
    dichloromethane 103.63
    cyclohexanone 107.31
    propylene glycol 14.74
    isopropyl acetate 43.18
    DMAc 201.15
    2-ethoxyethanol 52.37
    isopentanol 14.52
    n-heptane 8.96
    ethyl formate 48.64
    1,2-dichloroethane 74.06
    n-hexanol 24.56
    2-methoxyethanol 59.66
    isobutyl acetate 44.57
    tetrachloromethane 27.12
    n-pentyl acetate 50.48
    transcutol 157.78
    n-heptanol 20.54
    ethylbenzene 30.12
    MIBK 46.95
    2-propoxyethanol 60.12
    tert-butanol 19.0
    MTBE 27.37
    2-butoxyethanol 47.36
    propionic acid 32.63
    o-xylene 42.52
    formic acid 46.13
    diethyl ether 30.76
    m-xylene 38.31
    p-xylene 41.12
    chlorobenzene 68.15
    dimethyl carbonate 61.14
    n-octane 4.75
    formamide 70.32
    cyclopentanone 148.43
    2-pentanone 51.33
    anisole 70.39
    cyclopentyl methyl ether 64.61
    gamma-butyrolactone 153.18
    1-methoxy-2-propanol 44.49
    pyridine 103.96
    3-pentanone 56.4
    furfural 214.43
    n-dodecane 5.14
    diethylene glycol 65.68
    diisopropyl ether 19.14
    tert-amyl alcohol 17.5
    acetylacetone 121.95
    n-hexadecane 5.88
    acetophenone 99.29
    methyl propionate 54.91
    isopentyl acetate 51.7
    trichloroethylene 157.87
    n-nonanol 23.4
    cyclohexanol 24.98
    benzyl alcohol 57.16
    2-ethylhexanol 26.56
    isooctanol 19.7
    dipropyl ether 38.31
    1,2-dichlorobenzene 79.44
    ethyl lactate 41.11
    propylene carbonate 93.77
    n-methylformamide 74.65
    2-pentanol 12.62
    n-pentane 3.7
    1-propoxy-2-propanol 50.0
    1-methoxy-2-propyl acetate 77.08
    2-(2-methoxypropoxy) propanol 68.77
    mesitylene 30.79
    ε-caprolactone 89.77
    p-cymene 33.64
    epichlorohydrin 127.28
    1,1,1-trichloroethane 71.05
    2-aminoethanol 21.86
    morpholine-4-carbaldehyde 213.9
    sulfolane 245.82
    2,2,4-trimethylpentane 3.44
    2-methyltetrahydrofuran 70.86
    n-hexyl acetate 54.51
    isooctane 2.99
    2-(2-butoxyethoxy)ethanol 72.92
    sec-butyl acetate 41.96
    tert-butyl acetate 56.01
    decalin 7.51
    glycerin 32.62
    diglyme 141.5
    acrylic acid 51.68
    isopropyl myristate 36.52
    n-butyric acid 33.31
    acetyl acetate 67.18
    di(2-ethylhexyl) phthalate 43.36
    ethyl propionate 48.34
    nitromethane 165.94
    1,2-diethoxyethane 68.5
    benzonitrile 84.75
    trioctyl phosphate 30.89
    1-bromopropane 28.64
    gamma-valerolactone 181.2
    n-decanol 20.44
    triethyl phosphate 43.86
    4-methyl-2-pentanol 13.22
    propionitrile 31.93
    vinylene carbonate 106.31
    1,1,2-trichlorotrifluoroethane 137.44
    DMS 79.38
    cumene 25.5
    2-octanol 17.27
    2-hexanone 55.18
    octyl acetate 41.19
    limonene 43.31
    1,2-dimethoxyethane 98.34
    ethyl orthosilicate 39.13
    tributyl phosphate 35.66
    diacetone alcohol 59.7
    N,N-dimethylaniline 69.4
    acrylonitrile 54.84
    aniline 49.88
    1,3-propanediol 22.5
    bromobenzene 69.75
    dibromomethane 63.27
    1,1,2,2-tetrachloroethane 115.57
    2-methyl-cyclohexyl acetate 60.39
    tetrabutyl urea 56.4
    diisobutyl methanol 23.08
    2-phenylethanol 56.51
    styrene 39.66
    dioctyl adipate 55.97
    dimethyl sulfate 128.37
    ethyl butyrate 54.78
    methyl lactate 48.67
    butyl lactate 46.45
    diethyl carbonate 44.16
    propanediol butyl ether 48.18
    triethyl orthoformate 46.17
    p-tert-butyltoluene 33.38
    methyl 4-tert-butylbenzoate 80.42
    morpholine 78.92
    tert-butylamine 13.27
    n-dodecanol 18.13
    dimethoxymethane 92.35
    ethylene carbonate 74.31
    cyrene 114.76
    2-ethoxyethyl acetate 77.62
    2-ethylhexyl acetate 46.81
    1,2,4-trichlorobenzene 101.59
    4-methylpyridine 96.43
    dibutyl ether 29.92
    2,6-dimethyl-4-heptanol 23.08
    DEF 83.92
    dimethyl isosorbide 142.29
    tetrachloroethylene 94.55
    eugenol 82.93
    triacetin 95.87
    span 80 58.96
    1,4-butanediol 18.94
    1,1-dichloroethane 51.51
    2-methyl-1-pentanol 19.16
    methyl formate 86.98
    2-methyl-1-butanol 13.28
    n-decane 6.9
    butyronitrile 29.69
    3,7-dimethyl-1-octanol 25.77
    1-chlorooctane 21.8
    1-chlorotetradecane 13.51
    n-nonane 6.02
    undecane 5.83
    tert-butylcyclohexane 6.69
    cyclooctane 4.37
    cyclopentanol 33.7
    tetrahydropyran 55.27
    tert-amyl methyl ether 29.43
    2,5,8-trioxanonane 120.5
    1-hexene 12.4
    2-isopropoxyethanol 46.2
    2,2,2-trifluoroethanol 54.91
    methyl butyrate 58.74

    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