Dacarbazine

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  • Identifiers

    CAS number
    4342-03-4

    Molecular formula
    C6H10N6O

    SMILES
    CN(C)/N=N/C1=C(NC=N1)C(=O)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 55.33%
    Roasted 29.36%
    Popcorn 26.81%
    Nutty 25.71%
    Meaty 25.71%
    Savory 24.91%
    Cooked 23.52%
    Fishy 21.08%
    Burnt 17.7%
    Cocoa 17.31%

     

    Flavor
    Bitter 62.85%
    Odorless 37.52%
    Roasted 30.3%
    Nutty 25.74%
    Cooked 24.93%
    Bland 21.34%
    Taco 20.83%
    Roasted peanuts 20.66%
    Roast 20.53%
    Bread crust 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.7 (neutral)

    Molecular weight
    182.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    508°C

    Melting point expt.

    • 482 to 491 °F (explosively decomposes) (NTP, 1992)
    • 205 °C
    • Melting point: 250-255 °C (explosive decomposition)

    Flash point

    • 227.31 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 59 °F (NTP, 1992)
    • 4220 mg/L
    • Water: (1 mg/ml at room temp)

  • Synonyms

    • dacarbazine
    • DTIC
    • DTIC-Dome
    • Deticene
    • 4342-03-4
    • Biocarbazine R
    • Decarbazine
    • ICDMT
    • ICDT
    • Dacarbazinum
    • NSC-45388
    • Imidazole carboxamide
    • Dacarbasine
    • Dicarbazine
    • NSC45388
    • 5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide
    • NSC 45388
    • 5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide
    • Di-me-triazenoimidazolecarboxamide
    • (Dimethyltriazeno)imidazolecarboxamide
    • 5-(Dimethyltriazeno)imidazole-4-carboxamide
    • dacarbazina
    • NCI-C04717
    • 4-(3,3-Dimethyl-1-triazeno)imidazole-5-carboxamide
    • 7GR28W0FJI
    • 4-(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide
    • DTXSID0020369
    • HSDB 3219
    • 4-(Dimethyltriazeno)imidazole-5-carboxamide
    • NCI C04717
    • 1H-imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-
    • DTXCID20369
    • Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazeno)-
    • 4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide
    • 5-(dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide
    • Dacatic
    • DTICDome
    • DTIC Dome
    • (5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide
    • Dimethyl Triazeno Imidazole Carboxamide
    • Carboxamide, Dimethyl Imidazole
    • Imidazole Carboxamide, Dimethyl
    • CHEBI:4305
    • Dakarbazin
    • Asercit
    • Detimedac
    • Fauldetic
    • Dacarbazine-DTIC
    • Dacarbazina Almirall
    • 5(or 4)-(dimethyltriazeno)imidazole-4(or 5)-carboxamide
    • RefChem:57350
    • L01AX04
    • Imidazole Carboxamide Dimethyltriazeno
    • Dimethyl Triazeno Imidazol Carboxamide
    • dimethyl-triazeno-imidazole carboxamide
    • Dimethyl-triazeno-imidazole-carboximide
    • Dimethyl (triazeno) imidazolecarboxamide
    • WR-139007
    • 5-(3-3-dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
    • 224-396-1
    • Dimethyl Imidazole Carboxamide
    • Biocarbazine
    • DTIE
    • Dacarbazinum [INN-Latin]
    • Dacarbazino [INN-Spanish]
    • Dtic-Dome (TN)
    • 4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide
    • C6H10N6O
    • MFCD00057167
    • 5- (3,3-Dimethyl-1-triazenyl) imidazole-4-carboxamide
    • 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
    • NCGC00091861-01
    • 750512-03-9
    • 4-[(E)-dimethylaminoazo]-1H-imidazole-5-carboxamide
    • Dacarbazino
    • CAS-4342-03-4
    • SR-05000001598
    • 5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide
    • CCRIS 190
    • Dacarbazine (JAN/USP/INN)
    • 5-(Dimethyltriazeno)imidazole-4-carboximide
    • (E)-Dacarbazine
    • Dimethyltriazenoimidazolecarboxamide
    • EINECS 224-396-1
    • 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide
    • Dacarbazine (Standard)
    • 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide
    • AI3-52825
    • DACARBAZINE [MI]
    • DACARBAZINE [INN]
    • DACARBAZINE [JAN]
    • Dacarbazine (DTIC-Dome)
    • DACARBAZINE [HSDB]
    • DACARBAZINE [IARC]
    • DACARBAZINE [USAN]
    • CHEMBL476
    • UNII-7GR28W0FJI
    • (5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide
    • DACARBAZINE [VANDF]
    • DACARBAZINE [MART.]
    • DACARBAZINE [USP-RS]
    • DACARBAZINE [WHO-DD]
    • DACARBAZINE [WHO-IP]
    • SPECTRUM1500218
    • Carboxamide, 5-(3,3-dimethyl-1-triazeno)imidazole-4-
    • CHEBI:94587
    • HMS501A08
    • HY-B0078R
    • DACARBAZINE [ORANGE BOOK]
    • Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-
    • CHEBI:177836
    • BDBM233149
    • DACARBAZINE [EP MONOGRAPH]
    • HMS2090A20
    • HMS2091I20
    • Pharmakon1600-01500218
    • DACARBAZINE [USP MONOGRAPH]
    • DACARBAZINUM [WHO-IP LATIN]
    • HY-B0078
    • Tox21_111171
    • Tox21_201010
    • CCG-35381
    • CCG-36068
    • CCG-40272
    • EBC-17029
    • EBC-24021
    • NSC759610
    • 4342-03-4

  • Applications

    Dacarbazine (CAS 4342-03-4) is primarily recognized as an active pharmaceutical ingredient in pharmaceutical manufacturing, serving as a basis for formulation development, and is evaluated as a reference alkylating agent in medicinal chemistry research and in the development of manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.78
    methanol 5.89
    isopropanol 0.6
    water 6.37
    ethyl acetate 0.19
    n-propanol 0.93
    acetone 0.62
    n-butanol 0.65
    acetonitrile 0.83
    DMF 23.25
    toluene 0.19
    isobutanol 0.64
    1,4-dioxane 0.75
    methyl acetate 0.6
    THF 3.0
    2-butanone 0.64
    n-pentanol 0.5
    sec-butanol 0.5
    n-hexane 0.03
    ethylene glycol 7.68
    NMP 59.05
    cyclohexane 0.06
    DMSO 40.63
    n-butyl acetate 0.66
    n-octanol 0.14
    chloroform 1.19
    n-propyl acetate 0.47
    acetic acid 14.27
    dichloromethane 1.59
    cyclohexanone 2.79
    propylene glycol 7.04
    isopropyl acetate 0.15
    DMAc 31.19
    2-ethoxyethanol 4.04
    isopentanol 0.58
    n-heptane 0.03
    ethyl formate 1.99
    1,2-dichloroethane 0.74
    n-hexanol 0.49
    2-methoxyethanol 12.16
    isobutyl acetate 0.34
    tetrachloromethane 0.36
    n-pentyl acetate 0.27
    transcutol 4.77
    n-heptanol 0.25
    ethylbenzene 0.17
    MIBK 0.28
    2-propoxyethanol 3.83
    tert-butanol 0.66
    MTBE 0.14
    2-butoxyethanol 2.0
    propionic acid 3.92
    o-xylene 0.28
    formic acid 56.09
    diethyl ether 0.08
    m-xylene 0.18
    p-xylene 0.39
    chlorobenzene 0.35
    dimethyl carbonate 1.09
    n-octane 0.01
    formamide 43.53
    cyclopentanone 4.5
    2-pentanone 0.28
    anisole 0.41
    cyclopentyl methyl ether 0.62
    gamma-butyrolactone 8.79
    1-methoxy-2-propanol 4.29
    pyridine 2.34
    3-pentanone 0.31
    furfural 18.59
    n-dodecane 0.01
    diethylene glycol 9.38
    diisopropyl ether 0.03
    tert-amyl alcohol 0.67
    acetylacetone 0.62
    n-hexadecane 0.01
    acetophenone 1.37
    methyl propionate 0.61
    isopentyl acetate 0.74
    trichloroethylene 2.04
    n-nonanol 0.15
    cyclohexanol 0.81
    benzyl alcohol 1.71
    2-ethylhexanol 0.36
    isooctanol 0.23
    dipropyl ether 0.2
    1,2-dichlorobenzene 0.57
    ethyl lactate 2.2
    propylene carbonate 5.61
    n-methylformamide 14.5
    2-pentanol 0.2
    n-pentane 0.02
    1-propoxy-2-propanol 1.95
    1-methoxy-2-propyl acetate 1.15
    2-(2-methoxypropoxy) propanol 3.26
    mesitylene 0.14
    ε-caprolactone 3.46
    p-cymene 0.25
    epichlorohydrin 4.42
    1,1,1-trichloroethane 0.44
    2-aminoethanol 8.02
    morpholine-4-carbaldehyde 22.22
    sulfolane 28.84
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.1
    n-hexyl acetate 0.27
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.85
    sec-butyl acetate 0.23
    tert-butyl acetate 0.27
    decalin 0.04
    glycerin 22.17
    diglyme 5.04
    acrylic acid 9.04
    isopropyl myristate 0.13
    n-butyric acid 2.39
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.98
    ethyl propionate 0.37
    nitromethane 11.71
    1,2-diethoxyethane 0.27
    benzonitrile 1.38
    trioctyl phosphate 0.49
    1-bromopropane 0.24
    gamma-valerolactone 13.14
    n-decanol 0.12
    triethyl phosphate 1.18
    4-methyl-2-pentanol 0.19
    propionitrile 0.67
    vinylene carbonate 6.14
    1,1,2-trichlorotrifluoroethane 21.63
    DMS 0.83
    cumene 0.19
    2-octanol 0.1
    2-hexanone 0.47
    octyl acetate 0.22
    limonene 0.27
    1,2-dimethoxyethane 3.26
    ethyl orthosilicate 0.88
    tributyl phosphate 0.68
    diacetone alcohol 1.57
    N,N-dimethylaniline 0.8
    acrylonitrile 1.95
    aniline 0.92
    1,3-propanediol 5.65
    bromobenzene 0.25
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 1.85
    2-methyl-cyclohexyl acetate 1.02
    tetrabutyl urea 1.17
    diisobutyl methanol 0.2
    2-phenylethanol 1.29
    styrene 0.17
    dioctyl adipate 0.51
    dimethyl sulfate 5.79
    ethyl butyrate 0.64
    methyl lactate 4.54
    butyl lactate 1.45
    diethyl carbonate 0.78
    propanediol butyl ether 2.77
    triethyl orthoformate 0.81
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 1.61
    morpholine 2.11
    tert-butylamine 0.28
    n-dodecanol 0.09
    dimethoxymethane 2.06
    ethylene carbonate 3.42
    cyrene 9.88
    2-ethoxyethyl acetate 0.53
    2-ethylhexyl acetate 0.6
    1,2,4-trichlorobenzene 1.06
    4-methylpyridine 1.54
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.2
    DEF 1.73
    dimethyl isosorbide 6.3
    tetrachloroethylene 1.58
    eugenol 2.63
    triacetin 1.01
    span 80 2.25
    1,4-butanediol 2.55
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.52
    methyl formate 9.09
    2-methyl-1-butanol 0.62
    n-decane 0.01
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.04
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 1.76
    tetrahydropyran 0.43
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 4.42
    1-hexene 0.1
    2-isopropoxyethanol 1.61
    2,2,2-trifluoroethanol 10.59
    methyl butyrate 0.93

    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