Cyclophosphamide monohydrate

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  • Identifiers

    CAS number
    6055-19-2

    Molecular formula
    C7H17Cl2N2O3P

    SMILES
    C1CNP(=O)(OC1)N(CCCl)CCCl.O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 56.43%
    Fishy 50.05%
    Savory 26.17%
    Cooling 24.02%
    Meaty 23.05%
    Sweet 22.89%
    Animal 22.32%
    Popcorn 19.42%
    Cheesy 18.82%
    Ripe 18.19%

     

    Flavor
    Bitter 38.53%
    Odorless 35.1%
    Roasted 28.23%
    Bland 24.43%
    Sweet-like 21.57%
    Mild 20.68%
    Sulfury 20.24%
    Bouillon 20.16%
    Scallion 20.04%
    Sulfurous 19.9%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.87 (weak acid)

    Molecular weight
    279.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Melting point expt.

    • 121 to 127 °F (NTP, 1992)

    Flash point

    • 176.66 ˚C est.
    • greater than 230 °F (NTP, 1992)

    Solubility expt.

    • 10 to 50 mg/mL at 73 °F (NTP, 1992)

  • Synonyms

    • Cyclophosphamide monohydrate
    • 6055-19-2
    • Cyclophosphamide hydrate
    • Cytoxan
    • Neosar
    • Endoxan monohydrate
    • Revimmune
    • 2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide hydrate
    • Cyclophosphamide (hydrate)
    • Ciclophosphamide hydrat
    • MFCD00149395
    • Ciclofosfamide
    • Cycloblastin
    • 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate
    • 6055-19-2 (hydrate)
    • CCRIS 7469
    • Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate
    • Cytoxan (Lyophilized)
    • MLS001306483
    • CHEBI:4026
    • DTXSID6024888
    • 1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate
    • 8N3DW7272P
    • 2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate
    • 2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate
    • UNII-8N3DW7272P
    • (Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate
    • N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxaphosphorin-2-amine, 2-oxide monohydrate
    • N,N-Bis(beta-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide monohydrate
    • B-518
    • Cytoxan (TN)
    • N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;hydrate
    • NSC-756711
    • (+-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate
    • 2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate
    • DTXCID604888
    • Cytoxan hydrate
    • N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide hydrate
    • CYCLOPHOSPHAMIDE [IARC]
    • Cyclophosphamide (hydrated)
    • 2-[bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate
    • CYCLOPHOSPHAMIDE [USP-RS]
    • CAS-6055-19-2
    • N,N-Bis(beta-cloraethyl) N'-O-propylenphosphorildiamid monohydratum
    • CYCLOPHOSPHAMIDE [EP MONOGRAPH]
    • CYCLOPHOSPHAMIDE [USP MONOGRAPH]
    • NCGC00015209-05
    • Prestwick_137
    • Cyclophosphamide [USP:INN:BAN:JAN]
    • Cyclophosphamide (USP)
    • Cyclophosphamide hydrate?
    • N,N-Bis(beta-chloroethyl)-N',O-propylenephosphoric acid ester amide monohydrate
    • N,N-Bis(beta-cloraethyl) N'-O-propylenphosphorildiamid monohydratum [Romanian]
    • SCHEMBL6071
    • 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate
    • Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate
    • N,N-Di(2-chloroethyl)amino-N,O-propylene phosphoric acid ester diamide monohydrate
    • CYCLOPHOSPHAMIDE [MI]
    • SPECTRUM1500213
    • CYCLOPHOSPHAMIDE [VANDF]
    • CHEMBL1200796
    • CYCLOPHOSPHANUM [WHO-IP]
    • Cyclophosphamide hydrate (JP18)
    • HMS500M08
    • CYCLOPHOSPHAMIDE [WHO-IP]
    • GLXC-10416
    • HMS1920C04
    • HMS2091I12
    • HMS2234I13
    • HMS3259P15
    • HMS3370O11
    • HY-17420AR
    • BCP22663
    • Tox21_110100
    • Tox21_201503
    • Tox21_300529
    • CCG-40013
    • HY-17420A
    • s2057
    • CYCLOPHOSPHAMIDE [ORANGE BOOK]
    • CYCLOPHOSPHAMIDE HYDRATE [JAN]
    • AKOS009144593
    • Cyclophosphamide (hydrate) (Standard)
    • Tox21_110100_1
    • AC-1741
    • BCP9000569
    • CS-5005
    • NC00662
    • 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate
    • CYCLOPHOSPHAMIDUM [WHO-IP LATIN]
    • Cyclophosphamide monohydrate, ISOPAC(R)
    • NCGC00015209-11
    • NCGC00091741-01
    • NCGC00091741-04
    • NCGC00094636-01
    • NCGC00094636-02
    • NCGC00094636-03
    • NCGC00094636-04
    • NCGC00180900-01
    • NCGC00254543-01
    • NCGC00259054-01
    • 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate, (+-)
    • AS-13677
    • BP-12392
    • Cyclophosphamide monohydrate, bulk package
    • SMR000718805
    • BCP0726000113
    • DB-053644
    • CYCLOPHOSPHAMIDE MONOHYDRATE [WHO-DD]
    • NS00078376
    • SW199628-3
    • EN300-52512
    • C06933
    • D00287
    • Cyclophosphamide monohydrate, analytical standard
    • SR-01000075737-4
    • Q27106287
    • 2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane2-oxidehydrate
    • Cyclophosphamide, European Pharmacopoeia (EP) Reference Standard
    • 2-[bis(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one hydrate
    • Cyclophosphamide, United States Pharmacopeia (USP) Reference Standard
    • Cyclophosphamide, Pharmaceutical Secondary Standard; Certified Reference Material
    • N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide--water (1/1)
    • (+/-)-2-(BIS(2-CHLOROETHYL)AMINO)TETRAHYDRO-2H-1,3,2-OXAZAPHOSPHORINE 2-OXIDE MONOHYDRATE
    • 2H-1,3,2-OXAZAPHOSPHORIN-2-AMINE, N,N-BIS(2-CHLOROETHYL)TETRAHYDRO-, 2-OXIDE, MONOHYDRATE, (+/-)-

  • Applications

    Cyclophosphamide monohydrate (6055-19-2) is primarily used in the pharmaceutical sector as an active pharmaceutical ingredient in anticancer formulations and plays a role in formulation development and stability assessment of products containing this alkylating agent; in pharmaceutical manufacturing, it supports the development of regimens and related quality control; in life sciences research and chemical industry, it is regarded as a cytotoxic alkylating agent used in preclinical studies to understand DNA-damaging mechanisms; and in analytical chemistry and quality assurance, Cyclophosphamide monohydrate can be used as a reference material or calibration standard for related analytical methods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.91
    methanol 479.3
    isopropanol 65.83
    water 509.41
    ethyl acetate 16.19
    n-propanol 90.16
    acetone 27.5
    n-butanol 60.02
    acetonitrile 33.66
    DMF 220.21
    toluene 8.72
    isobutanol 49.18
    1,4-dioxane 39.07
    methyl acetate 19.61
    THF 63.64
    2-butanone 21.1
    n-pentanol 49.39
    sec-butanol 49.94
    n-hexane 1.28
    ethylene glycol 182.51
    NMP 212.79
    cyclohexane 3.99
    DMSO 231.16
    n-butyl acetate 20.92
    n-octanol 24.41
    chloroform 125.54
    n-propyl acetate 21.02
    acetic acid 248.76
    dichloromethane 118.65
    cyclohexanone 59.32
    propylene glycol 113.8
    isopropyl acetate 12.54
    DMAc 161.8
    2-ethoxyethanol 134.71
    isopentanol 36.23
    n-heptane 2.87
    ethyl formate 52.13
    1,2-dichloroethane 46.53
    n-hexanol 35.6
    2-methoxyethanol 209.53
    isobutyl acetate 13.87
    tetrachloromethane 18.45
    n-pentyl acetate 26.62
    transcutol 100.71
    n-heptanol 35.56
    ethylbenzene 5.56
    MIBK 13.83
    2-propoxyethanol 94.36
    tert-butanol 43.31
    MTBE 10.58
    2-butoxyethanol 81.21
    propionic acid 89.77
    o-xylene 10.34
    formic acid 602.22
    diethyl ether 13.6
    m-xylene 8.71
    p-xylene 7.8
    chlorobenzene 19.89
    dimethyl carbonate 17.6
    n-octane 1.78
    formamide 456.54
    cyclopentanone 70.18
    2-pentanone 17.66
    anisole 15.44
    cyclopentyl methyl ether 24.43
    gamma-butyrolactone 100.39
    1-methoxy-2-propanol 104.14
    pyridine 57.97
    3-pentanone 13.51
    furfural 155.76
    n-dodecane 1.4
    diethylene glycol 129.56
    diisopropyl ether 4.62
    tert-amyl alcohol 39.09
    acetylacetone 20.35
    n-hexadecane 1.54
    acetophenone 29.51
    methyl propionate 20.92
    isopentyl acetate 19.1
    trichloroethylene 93.8
    n-nonanol 22.63
    cyclohexanol 44.54
    benzyl alcohol 50.4
    2-ethylhexanol 19.71
    isooctanol 26.76
    dipropyl ether 12.78
    1,2-dichlorobenzene 25.33
    ethyl lactate 38.72
    propylene carbonate 60.84
    n-methylformamide 201.8
    2-pentanol 26.88
    n-pentane 2.48
    1-propoxy-2-propanol 56.61
    1-methoxy-2-propyl acetate 29.9
    2-(2-methoxypropoxy) propanol 47.94
    mesitylene 6.8
    ε-caprolactone 63.82
    p-cymene 9.63
    epichlorohydrin 79.5
    1,1,1-trichloroethane 21.53
    2-aminoethanol 205.14
    morpholine-4-carbaldehyde 163.22
    sulfolane 150.93
    2,2,4-trimethylpentane 1.65
    2-methyltetrahydrofuran 36.13
    n-hexyl acetate 24.49
    isooctane 1.1
    2-(2-butoxyethoxy)ethanol 62.44
    sec-butyl acetate 11.5
    tert-butyl acetate 11.88
    decalin 1.69
    glycerin 203.79
    diglyme 98.51
    acrylic acid 121.48
    isopropyl myristate 9.83
    n-butyric acid 80.1
    acetyl acetate 15.62
    di(2-ethylhexyl) phthalate 24.34
    ethyl propionate 14.28
    nitromethane 171.81
    1,2-diethoxyethane 20.79
    benzonitrile 43.83
    trioctyl phosphate 18.86
    1-bromopropane 18.15
    gamma-valerolactone 120.69
    n-decanol 16.3
    triethyl phosphate 17.37
    4-methyl-2-pentanol 15.58
    propionitrile 28.79
    vinylene carbonate 77.65
    1,1,2-trichlorotrifluoroethane 155.09
    DMS 18.46
    cumene 5.17
    2-octanol 20.89
    2-hexanone 18.65
    octyl acetate 15.79
    limonene 12.05
    1,2-dimethoxyethane 83.95
    ethyl orthosilicate 16.13
    tributyl phosphate 17.47
    diacetone alcohol 31.46
    N,N-dimethylaniline 20.07
    acrylonitrile 54.23
    aniline 32.82
    1,3-propanediol 152.38
    bromobenzene 15.34
    dibromomethane 61.54
    1,1,2,2-tetrachloroethane 79.29
    2-methyl-cyclohexyl acetate 23.5
    tetrabutyl urea 28.56
    diisobutyl methanol 11.49
    2-phenylethanol 40.17
    styrene 6.91
    dioctyl adipate 21.15
    dimethyl sulfate 42.95
    ethyl butyrate 18.68
    methyl lactate 52.85
    butyl lactate 43.56
    diethyl carbonate 16.05
    propanediol butyl ether 75.17
    triethyl orthoformate 19.96
    p-tert-butyltoluene 9.5
    methyl 4-tert-butylbenzoate 42.39
    morpholine 77.29
    tert-butylamine 23.2
    n-dodecanol 11.77
    dimethoxymethane 63.03
    ethylene carbonate 53.98
    cyrene 81.15
    2-ethoxyethyl acetate 33.32
    2-ethylhexyl acetate 15.78
    1,2,4-trichlorobenzene 31.65
    4-methylpyridine 43.54
    dibutyl ether 8.94
    2,6-dimethyl-4-heptanol 11.49
    DEF 49.55
    dimethyl isosorbide 65.94
    tetrachloroethylene 66.07
    eugenol 56.14
    triacetin 37.63
    span 80 51.36
    1,4-butanediol 99.5
    1,1-dichloroethane 27.17
    2-methyl-1-pentanol 32.67
    methyl formate 114.06
    2-methyl-1-butanol 39.59
    n-decane 2.18
    butyronitrile 32.69
    3,7-dimethyl-1-octanol 17.54
    1-chlorooctane 7.96
    1-chlorotetradecane 3.56
    n-nonane 2.01
    undecane 1.68
    tert-butylcyclohexane 1.42
    cyclooctane 1.86
    cyclopentanol 66.2
    tetrahydropyran 27.46
    tert-amyl methyl ether 11.7
    2,5,8-trioxanonane 71.54
    1-hexene 3.96
    2-isopropoxyethanol 67.27
    2,2,2-trifluoroethanol 165.95
    methyl butyrate 23.86

    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