Nitrogen mustard N-oxide hydrochloride

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  • Identifiers

    CAS number
    302-70-5

    Molecular formula
    C5H12Cl3NO

    SMILES
    C[N+](CCCl)(CCCl)[O-].Cl

  • Odor profile

    Fragrance
    Fishy 47.33%
    Sweet 33.69%
    Odorless 31.48%
    Cheesy 26.51%
    Ripe 25.98%
    Fresh 23.04%
    Oily 22.79%
    Animal 22.59%
    Floral 20.67%
    Woody 18.73%

     

    Flavor
    Sulfurous 32.57%
    Meaty 23.28%
    Odorless 23.03%
    Sulfury 22.4%
    Bland 20.03%
    Bloody 19.32%
    Glue 19.03%
    Skunky 18.98%
    Onion 18.94%
    Bouillon 18.46%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    3.18 (weak acid)

    Molecular weight
    208.5 g/mol

    Flash point

    • -417.22 ˚C est.

  • Synonyms

    • Nitromin
    • Mitomen
    • Mustron
    • Ossiamina
    • Ossichlorin
    • 302-70-5
    • Nitromin hydrochloride
    • NITROGEN MUSTARD N-OXIDE HYDROCHLORIDE
    • MBAO hydrochloride
    • Mechlorethamine oxide hydrochloride
    • HN2 oxide hydrochloride
    • N-Oxyd-Lost
    • XA 2
    • Nitrogen mustard oxide hydrochloride
    • SK-598
    • Methyldi(2-chloroethyl)amine N-oxide hydrochloride
    • Nitrogen mustard oxide
    • N-Methylbis(2-chloroethyl)amine N-oxide hydrochloride
    • 2,2'-Dichloro-N-methyldiethylamine N-oxide hydrochloride
    • N-Methyl-2,2'-dichlorodiethylamine N-oxide hydrochloride
    • 2-Chloro-N-(2-chloroethyl)-N-methylethanamine-N-oxide hydrochloride
    • Nitrogen mustard n-oxide hydrochloride [JAN]
    • 009L92D6OC
    • Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, N-oxide, hydrochloride
    • 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide;hydrochloride
    • N-Oxyd-lost-hcl
    • Methylbis(.beta.-chloroethyl)amine N-oxide hydrochloride
    • Nitrogen mustard N-oxide hydrochloride (JAN)
    • HSDB 5106
    • chlormethine N-oxide hydrochloride
    • Chlormethine-N-oxide hydrochloride
    • Nitrogen mustard N-oxide HCl
    • UNII-009L92D6OC
    • AI3-52462
    • HN20 hydrochloride
    • Methylbis(2-chloroethyl)amine N-oxide hydrochloride
    • Methylbis(beta-chloroethyl)amine N-oxide hydrochloride
    • N-Methylbis(beta-chloroethyl)amine N-oxide hydrochloride
    • Methyl-bis-(beta-chloraethyl)-amin-N-oxyd-hydrochlorid [German]
    • Chlormethine N-oxide HCl
    • SCHEMBL8793
    • Methyl-bis-(beta-chloraethyl)-amin-N-oxyd-hydrochlorid
    • DTXSID0023375
    • CHEBI:31913
    • SYNHCENRCUAUNM-UHFFFAOYSA-N
    • Ethanamine, N-oxide, hydrochloride
    • Diethylamine, 2,2'-dichloro-N-methyl-, N-oxide, hydrochloride
    • Nitrogen mustard N-oxide, hydrochloride
    • WLN: G2KO & 1 & 2G & GH
    • D01493
    • MECHLORETHAMINE OXIDE HYDROCHLORIDE [MI]
    • bis(2-chloroethyl)methylamine oxide hydrochloride
    • CHLORMETHINE OXIDE HYDROCHLORIDE [WHO-DD]
    • NITROGEN MUSTARD N-OXIDE HYDROCHLORIDE [HSDB]
    • Q27231340
    • Diethylamine,2'-dichloro-N-methyl-, N-oxide, hydrochloride
    • METHYLBIS(.BETA.-CHLOROETHYL)AMINE OXIDE HYDROCHLORIDE

  • Applications

    Nitrogen mustard N-oxide hydrochloride (CAS 302-70-5) is primarily used as an intermediate in the organic synthesis of nitrogen-containing compounds; it is employed in pharmaceutical research and development; it is utilized in polymer chemistry to prepare nitrogen-containing polymers; it serves as a precursor for specialty dyes and functional materials in coatings and inks; and it functions as a laboratory reagent for chemical transformations to generate nitrogen-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.29
    methanol 239.74
    isopropanol 62.24
    water 113.34
    ethyl acetate 73.72
    n-propanol 80.64
    acetone 159.12
    n-butanol 54.22
    acetonitrile 165.64
    DMF 268.86
    toluene 41.48
    isobutanol 52.42
    1,4-dioxane 172.15
    methyl acetate 118.12
    THF 171.5
    2-butanone 97.84
    n-pentanol 39.13
    sec-butanol 59.67
    n-hexane 12.32
    ethylene glycol 126.52
    NMP 348.29
    cyclohexane 33.16
    DMSO 214.22
    n-butyl acetate 50.48
    n-octanol 39.57
    chloroform 430.07
    n-propyl acetate 50.52
    acetic acid 364.31
    dichloromethane 369.43
    cyclohexanone 156.51
    propylene glycol 74.71
    isopropyl acetate 36.38
    DMAc 274.24
    2-ethoxyethanol 110.16
    isopentanol 34.48
    n-heptane 16.53
    ethyl formate 87.18
    1,2-dichloroethane 159.73
    n-hexanol 43.04
    2-methoxyethanol 196.07
    isobutyl acetate 33.68
    tetrachloromethane 104.41
    n-pentyl acetate 41.44
    transcutol 291.59
    n-heptanol 29.82
    ethylbenzene 25.75
    MIBK 25.87
    2-propoxyethanol 102.27
    tert-butanol 58.08
    MTBE 40.27
    2-butoxyethanol 64.14
    propionic acid 136.14
    o-xylene 48.73
    formic acid 358.79
    diethyl ether 55.25
    m-xylene 31.04
    p-xylene 43.98
    chlorobenzene 87.54
    dimethyl carbonate 39.5
    n-octane 7.39
    formamide 296.06
    cyclopentanone 179.86
    2-pentanone 48.0
    anisole 64.19
    cyclopentyl methyl ether 72.76
    gamma-butyrolactone 221.66
    1-methoxy-2-propanol 95.76
    pyridine 159.52
    3-pentanone 62.2
    furfural 278.69
    n-dodecane 6.45
    diethylene glycol 140.21
    diisopropyl ether 14.48
    tert-amyl alcohol 53.99
    acetylacetone 75.17
    n-hexadecane 7.05
    acetophenone 78.04
    methyl propionate 74.4
    isopentyl acetate 42.98
    trichloroethylene 352.49
    n-nonanol 36.89
    cyclohexanol 80.92
    benzyl alcohol 67.86
    2-ethylhexanol 35.01
    isooctanol 25.77
    dipropyl ether 43.44
    1,2-dichlorobenzene 99.01
    ethyl lactate 46.82
    propylene carbonate 114.65
    n-methylformamide 181.77
    2-pentanol 30.48
    n-pentane 13.3
    1-propoxy-2-propanol 70.29
    1-methoxy-2-propyl acetate 61.05
    2-(2-methoxypropoxy) propanol 96.62
    mesitylene 21.45
    ε-caprolactone 139.24
    p-cymene 31.72
    epichlorohydrin 179.61
    1,1,1-trichloroethane 147.16
    2-aminoethanol 123.24
    morpholine-4-carbaldehyde 263.64
    sulfolane 247.3
    2,2,4-trimethylpentane 8.63
    2-methyltetrahydrofuran 119.6
    n-hexyl acetate 61.63
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 109.73
    sec-butyl acetate 32.32
    tert-butyl acetate 35.64
    decalin 13.12
    glycerin 140.0
    diglyme 185.51
    acrylic acid 182.54
    isopropyl myristate 30.6
    n-butyric acid 90.57
    acetyl acetate 67.22
    di(2-ethylhexyl) phthalate 43.78
    ethyl propionate 48.03
    nitromethane 387.9
    1,2-diethoxyethane 76.18
    benzonitrile 96.22
    trioctyl phosphate 27.8
    1-bromopropane 73.46
    gamma-valerolactone 219.17
    n-decanol 28.6
    triethyl phosphate 44.77
    4-methyl-2-pentanol 16.58
    propionitrile 86.94
    vinylene carbonate 140.04
    1,1,2-trichlorotrifluoroethane 251.07
    DMS 70.95
    cumene 23.98
    2-octanol 22.46
    2-hexanone 44.87
    octyl acetate 41.94
    limonene 44.81
    1,2-dimethoxyethane 155.97
    ethyl orthosilicate 42.55
    tributyl phosphate 35.19
    diacetone alcohol 49.79
    N,N-dimethylaniline 62.02
    acrylonitrile 132.08
    aniline 87.09
    1,3-propanediol 100.43
    bromobenzene 74.32
    dibromomethane 221.59
    1,1,2,2-tetrachloroethane 265.41
    2-methyl-cyclohexyl acetate 58.02
    tetrabutyl urea 51.7
    diisobutyl methanol 21.29
    2-phenylethanol 60.11
    styrene 32.47
    dioctyl adipate 58.96
    dimethyl sulfate 82.04
    ethyl butyrate 50.74
    methyl lactate 65.81
    butyl lactate 45.42
    diethyl carbonate 44.06
    propanediol butyl ether 71.29
    triethyl orthoformate 49.15
    p-tert-butyltoluene 29.14
    methyl 4-tert-butylbenzoate 78.92
    morpholine 175.71
    tert-butylamine 43.96
    n-dodecanol 23.86
    dimethoxymethane 101.58
    ethylene carbonate 98.91
    cyrene 109.71
    2-ethoxyethyl acetate 67.1
    2-ethylhexyl acetate 41.21
    1,2,4-trichlorobenzene 137.08
    4-methylpyridine 121.47
    dibutyl ether 40.36
    2,6-dimethyl-4-heptanol 21.29
    DEF 96.54
    dimethyl isosorbide 140.24
    tetrachloroethylene 236.29
    eugenol 84.02
    triacetin 103.05
    span 80 85.96
    1,4-butanediol 52.52
    1,1-dichloroethane 133.85
    2-methyl-1-pentanol 33.45
    methyl formate 147.43
    2-methyl-1-butanol 43.63
    n-decane 10.48
    butyronitrile 60.42
    3,7-dimethyl-1-octanol 37.26
    1-chlorooctane 30.73
    1-chlorotetradecane 15.42
    n-nonane 10.35
    undecane 7.84
    tert-butylcyclohexane 11.53
    cyclooctane 10.43
    cyclopentanol 97.26
    tetrahydropyran 109.63
    tert-amyl methyl ether 39.3
    2,5,8-trioxanonane 153.54
    1-hexene 26.72
    2-isopropoxyethanol 66.54
    2,2,2-trifluoroethanol 211.94
    methyl butyrate 60.63

    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