Uracil Mustard

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  • Identifiers

    CAS number
    66-75-1

    Molecular formula
    C8H11Cl2N3O2

    SMILES
    C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 64.51%
    Fishy 32.43%
    Savory 27.97%
    Meaty 24.8%
    Cooked 20.47%
    Animal 19.72%
    Cheesy 18.99%
    Cooling 18.81%
    Burnt 17.94%
    Popcorn 17.75%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    252.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    548°C

    Melting point expt.

    • 403 °F (NTP, 1992)
    • 206 dec °C
    • 206 °C

    Flash point est.
    255.09 ˚C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • 1070 mg/L
    • SPARINGLY SOL IN WATER
    • SLIGHTLY SOL IN ALCOHOL; PRACTICALLY INSOL IN CHLOROFORM
    • INSOL IN BENZENE
    • SOL IN DIMETHYLACETAMIDE & 5% AQ SOLN THEREOF
    • For more Solubility (Complete) data for URACIL MUSTARD (6 total), please visit the HSDB record page.
    • 1.32e+00 g/L

  • Synonyms

    • URACIL MUSTARD
    • Uramustine
    • 66-75-1
    • Desmethyldopan
    • Aminouracil mustard
    • Demethyldopan
    • Uramustin
    • Chlorethaminacil
    • Uracillost
    • Uracilmostaza
    • Nordopan
    • Uracil nitrogen mustard
    • 5-Aminouracil mustard
    • Uramustina
    • 5-N,N-Bis(2-chloroethyl)aminouracil
    • Uramustinum
    • Uracil lost
    • 5-Bis(2-chloroethyl)aminouracil
    • NSC-34462
    • U-8344
    • 5-(Di-2-chloroethyl)aminouracil
    • 5-[Bis(2-chloroethyl)amino]uracil
    • ENT 50439
    • RCRA waste number U237
    • CB-4835
    • NCI-C04820
    • SK-19849
    • Uracil mustard [USAN]
    • Uramustinum [INN-Latin]
    • Uramustina [INN-Spanish]
    • 5-(Bis(2-chloroethyl)amino)uracil
    • CCRIS 618
    • 5-(Di-(beta-chloroethyl)amino)uracil
    • U 8344
    • HSDB 3261
    • 2,6-Dihydroxy-5-bis[2-chloroethyl]aminopyrimidine
    • UNII-W7KQ46GJ8U
    • 5-[Di(beta-chloroethyl)amino]uracil
    • EINECS 200-631-3
    • W7KQ46GJ8U
    • NSC 34462
    • 5-(Bis(2-chlorethyl)amino)-2,4(1H,3H)pyrimidinedione
    • Uramustine (INN)
    • Uramustine [INN]
    • 5-(Bis(2-chloroethyl)amino)-2,4(1H,3H)pyrimidinedione
    • 2,4(1H,3H)-Pyrimidinedione, 5-(bis(2-chloroethyl)amino)-
    • Uracil, 5-(bis(2-chloroethyl)amino)-
    • CHEBI:9884
    • 2,6-Dihydroxy-5-bis(2-chloroethyl)aminopyrimidine
    • DTXSID8026270
    • AI3-50439
    • 5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione
    • Uracil mustard (USAN)
    • 5-[bis(2-chloroethyl)amino]pyrimidine-2,4-diol
    • Uracil mustard [USAN:USP]
    • DTXCID106270
    • 5-[Di(2-chloroethyl)amino]uracil
    • NSC34462
    • 5-[Di(.beta.-chloroethyl)amino]uracil
    • Uracil, 5-[bis(2-chloroethyl)amino]-
    • 5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione
    • NCGC00160575-01
    • 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-
    • Uracil lost [German]
    • Uramustinum (INN-Latin)
    • Uramustina (INN-Spanish)
    • URAMUSTINE (MART.)
    • URAMUSTINE [MART.]
    • Uracil mustard (USAN:USP)
    • URACIL MUSTARD (IARC)
    • URACIL MUSTARD [IARC]
    • 5-(Bis(2-chloroethyl)amino)pyrimidine-2,4(1H,3H)-dione
    • 5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione
    • 5-(Di(2-chloroethyl)amino)uracil
    • 5-(di(beta-chloroethyl)amino)uracil
    • 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • Mustard, Uracil
    • Uracil mustard (TN)
    • RCRA waste no. U237
    • 5-(bis(2-chloroethyl)amino)-2,4(1h,3h)-pyrimidinedione
    • uracil-mustard
    • Uramustine?
    • 5-(Bis(2-chloroethyl)amino)-2,4-(1H,3H)pyrimidinedione
    • SCHEMBL4091
    • CHEMBL1488
    • URACIL MUSTARD [MI]
    • URAMUSTINE [WHO-DD]
    • 2,6-Dihydroxy-5-bis(2-chloroethyl)aminopyramidine
    • MLS003899236
    • URACIL MUSTARD [HSDB]
    • WLN: T6MVMVJ EN2G2G
    • URACIL MUSTARD [VANDF]
    • GTPL7621
    • SCHEMBL19915183
    • L01AD08
    • BCP27982
    • Tox21_111911
    • ENT-50439
    • URACIL MUSTARD [ORANGE BOOK]
    • AKOS015850649
    • AKOS024332500
    • CS-5184
    • DB00791
    • 5-(bis-(2-Chloroethyl) Amino) Uracil
    • CAS-66-75-1
    • Uracil, 5-[bis(2-chloroethyl)-amino]-
    • HY-13544
    • NCI60_003061
    • SMR002543516
    • DB-005369
    • NS00036063
    • URACIL,5-(BIS(2-CHLOROETHYL)AMINO)-
    • 5-(BIS-(2-CHLOROETHYL)-AMINO)-URACIL
    • D06265
    • AB01273928-01
    • 5-[Bis(2-chlorethyl)amino]-2,3H)pyrimidinedione
    • A835541
    • EN300-37158616
    • 2,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-
    • 2,6-Dihydroxy-5-[bis(2-chloroethyl)amino]pyrimidine
    • BRD-K10180294-001-04-0
    • BRD-K10180294-001-06-5
    • Q15211075
    • URACIL MUSTARD (500 MG) (FOR U.S. SALE ONLY)
    • 5-(BIS(2-CHLOROETHYL)AMINO)-2,4-(1H,3H)-PYRIMIDINEDIONE
    • 200-631-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.17
    methanol 2.48
    isopropanol 0.59
    water 1.14
    ethyl acetate 0.69
    n-propanol 0.85
    acetone 1.03
    n-butanol 0.67
    acetonitrile 0.57
    DMF 19.48
    toluene 0.26
    isobutanol 0.56
    1,4-dioxane 0.32
    methyl acetate 0.66
    THF 3.55
    2-butanone 1.25
    n-pentanol 0.71
    sec-butanol 0.66
    n-hexane 0.06
    ethylene glycol 2.82
    NMP 70.46
    cyclohexane 0.04
    DMSO 90.51
    n-butyl acetate 2.72
    n-octanol 0.33
    chloroform 0.69
    n-propyl acetate 1.11
    acetic acid 7.17
    dichloromethane 1.34
    cyclohexanone 3.71
    propylene glycol 2.03
    isopropyl acetate 0.68
    DMAc 40.42
    2-ethoxyethanol 4.59
    isopentanol 0.73
    n-heptane 0.12
    ethyl formate 1.6
    1,2-dichloroethane 1.31
    n-hexanol 1.08
    2-methoxyethanol 7.65
    isobutyl acetate 0.62
    tetrachloromethane 0.25
    n-pentyl acetate 1.34
    transcutol 10.82
    n-heptanol 0.74
    ethylbenzene 0.28
    MIBK 0.84
    2-propoxyethanol 6.49
    tert-butanol 0.81
    MTBE 0.27
    2-butoxyethanol 3.86
    propionic acid 2.8
    o-xylene 0.51
    formic acid 19.18
    diethyl ether 0.2
    m-xylene 0.43
    p-xylene 0.46
    chlorobenzene 0.46
    dimethyl carbonate 1.21
    n-octane 0.03
    formamide 23.97
    cyclopentanone 6.38
    2-pentanone 0.97
    anisole 0.56
    cyclopentyl methyl ether 1.16
    gamma-butyrolactone 11.43
    1-methoxy-2-propanol 4.46
    pyridine 1.82
    3-pentanone 0.99
    furfural 18.27
    n-dodecane 0.02
    diethylene glycol 10.42
    diisopropyl ether 0.13
    tert-amyl alcohol 1.1
    acetylacetone 2.02
    n-hexadecane 0.03
    acetophenone 2.39
    methyl propionate 1.3
    isopentyl acetate 2.57
    trichloroethylene 2.38
    n-nonanol 0.37
    cyclohexanol 0.74
    benzyl alcohol 1.56
    2-ethylhexanol 0.94
    isooctanol 0.64
    dipropyl ether 0.95
    1,2-dichlorobenzene 0.85
    ethyl lactate 2.83
    propylene carbonate 6.11
    n-methylformamide 8.74
    2-pentanol 0.43
    n-pentane 0.04
    1-propoxy-2-propanol 4.78
    1-methoxy-2-propyl acetate 4.6
    2-(2-methoxypropoxy) propanol 6.35
    mesitylene 0.34
    ε-caprolactone 4.86
    p-cymene 0.8
    epichlorohydrin 5.55
    1,1,1-trichloroethane 0.61
    2-aminoethanol 3.76
    morpholine-4-carbaldehyde 18.5
    sulfolane 47.35
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.59
    n-hexyl acetate 0.99
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 5.03
    sec-butyl acetate 0.68
    tert-butyl acetate 1.05
    decalin 0.06
    glycerin 8.67
    diglyme 9.86
    acrylic acid 4.93
    isopropyl myristate 0.52
    n-butyric acid 2.73
    acetyl acetate 0.86
    di(2-ethylhexyl) phthalate 2.04
    ethyl propionate 1.11
    nitromethane 8.6
    1,2-diethoxyethane 1.29
    benzonitrile 1.44
    trioctyl phosphate 1.11
    1-bromopropane 0.45
    gamma-valerolactone 12.43
    n-decanol 0.3
    triethyl phosphate 2.84
    4-methyl-2-pentanol 0.37
    propionitrile 0.61
    vinylene carbonate 4.78
    1,1,2-trichlorotrifluoroethane 17.55
    DMS 2.01
    cumene 0.35
    2-octanol 0.35
    2-hexanone 1.22
    octyl acetate 0.76
    limonene 0.86
    1,2-dimethoxyethane 4.23
    ethyl orthosilicate 2.18
    tributyl phosphate 1.54
    diacetone alcohol 3.67
    N,N-dimethylaniline 1.31
    acrylonitrile 1.46
    aniline 0.94
    1,3-propanediol 3.17
    bromobenzene 0.38
    dibromomethane 0.82
    1,1,2,2-tetrachloroethane 2.27
    2-methyl-cyclohexyl acetate 2.67
    tetrabutyl urea 2.84
    diisobutyl methanol 0.62
    2-phenylethanol 2.2
    styrene 0.24
    dioctyl adipate 1.64
    dimethyl sulfate 8.78
    ethyl butyrate 2.58
    methyl lactate 4.68
    butyl lactate 3.34
    diethyl carbonate 2.08
    propanediol butyl ether 3.39
    triethyl orthoformate 2.32
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 4.3
    morpholine 1.06
    tert-butylamine 0.36
    n-dodecanol 0.23
    dimethoxymethane 2.45
    ethylene carbonate 2.81
    cyrene 11.62
    2-ethoxyethyl acetate 2.26
    2-ethylhexyl acetate 2.05
    1,2,4-trichlorobenzene 1.31
    4-methylpyridine 1.73
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.62
    DEF 4.12
    dimethyl isosorbide 13.05
    tetrachloroethylene 1.84
    eugenol 5.14
    triacetin 2.79
    span 80 3.65
    1,4-butanediol 1.62
    1,1-dichloroethane 0.4
    2-methyl-1-pentanol 0.85
    methyl formate 4.12
    2-methyl-1-butanol 0.75
    n-decane 0.03
    butyronitrile 0.62
    3,7-dimethyl-1-octanol 0.48
    1-chlorooctane 0.16
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 1.47
    tetrahydropyran 0.35
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 8.6
    1-hexene 0.18
    2-isopropoxyethanol 2.29
    2,2,2-trifluoroethanol 5.67
    methyl butyrate 1.85

    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