Oxazepam

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  • Identifiers

    CAS number
    604-75-1

    Molecular formula
    C15H11ClN2O2

    SMILES
    C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 43.57%
    Bitter 29.67%
    Fruity 27.4%
    Sweet 24.56%
    Grape 23.56%
    Animal 21.45%
    Neroli 20.8%
    Spicy 20.42%
    Burnt 20.21%
    Honey 20.19%

     

    Flavor
    Bitter 91.51%
    Odorless 26.12%
    Nitrile 20.34%
    Very strong 19.68%
    Indole 19.58%
    Sweet-like 19.55%
    Cedarleaf 19.51%
    Lovage 18.74%
    Bread crust 18.72%
    Cereal 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.21 (weak base)

    Molecular weight
    286.71 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    552°C

    Melting point expt.

    • 401 to 403 °F (NTP, 1992)
    • 205-206 °C
    • 205 - 206 °C

    Flash point

    • 253.73 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Soluble in alcohol, chloroform, dioxane
    • 1 G SOL IN MORE THAN 10,000 ML WATER, 220 ML ALCOHOL, 270 ML CHLOROFORM, 2200 ML ETHER
    • In water, 0.02 g/L at 22 °C
    • 8.81e-02 g/L

  • Synonyms

    • oxazepam
    • Serax
    • 604-75-1
    • Tazepam
    • Adumbran
    • Droxacepam
    • Zaxopam
    • Ansioxacepam
    • Durazepam
    • Noctazepam
    • Psiquiwas
    • Quilibrex
    • Anxiolit
    • Aplakil
    • Astress
    • Drimuel
    • Limbial
    • Murelax
    • Nesontil
    • Pacienx
    • Praxiten
    • Sedigoa
    • Serenid
    • Serepax
    • Seresta
    • Bonare
    • Isodin
    • Propax
    • Rondar
    • Serpax
    • Sobril
    • Vaben
    • Azutranquil
    • Hi-Long
    • Psicopax
    • Sigacalm
    • Uskan
    • (RS)-Oxazepam
    • Nortemazepam
    • Tarchomin
    • Nozepam
    • Serenid-D
    • (+-)-Oxazepam
    • Oxazepamum
    • Abboxapam
    • Alepam
    • Anxiolit retard
    • QUEN
    • Tranquo-buscopan-wirkstoff
    • WY-3498
    • Z10-Tr
    • N-Desmethyltemazepam
    • Ossazepam
    • Oxozepam
    • Tacepam
    • Ro 5-6789
    • Z 10 tr
    • CB 8092
    • Oxazepam civ
    • Oxazepamum [INN-Latin]
    • 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-
    • Wy 3498
    • 7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
    • CCRIS 488
    • 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
    • HSDB 3140
    • UNII-6GOW6DWN2A
    • 6GOW6DWN2A
    • EINECS 210-076-9
    • NSC 169448
    • NSC-169448
    • CHEBI:7823
    • DTXSID1021087
    • 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    • J3.308A
    • 1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
    • DTXCID301087
    • Lederpam
    • NIOSH/DF2371850
    • Oxanid
    • Oxa-puren
    • NSC169448
    • Oxazepam [USAN:USP:INN:BAN:JAN]
    • Ossazepam [DCIT]
    • NCGC00159323-02
    • NCGC00159323-03
    • Oxazipam
    • Hilong
    • OXAZEPAM (IARC)
    • OXAZEPAM [IARC]
    • Oxazepamum (INN-Latin)
    • DF23718500
    • 1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
    • 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepine-2-one
    • OXAZEPAM (MART.)
    • OXAZEPAM [MART.]
    • OXAZEPAM CIV (USP-RS)
    • OXAZEPAM CIV [USP-RS]
    • OXAZEPAM (EP MONOGRAPH)
    • OXAZEPAM [EP MONOGRAPH]
    • OXAZEPAM (USP MONOGRAPH)
    • OXAZEPAM [USP MONOGRAPH]
    • Oxazepam (USAN:USP:INN:BAN:JAN)
    • 3H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-5-phenyl-
    • 2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1,3-DIHYDRO-3-HYDROXY-5-PHENYL-, (+/-)-
    • CAS-604-75-1
    • TEMAZEPAM IMPURITY B (EP IMPURITY)
    • TEMAZEPAM IMPURITY B [EP IMPURITY]
    • Serax (TN)
    • Oxazepam (JAN/USP/INN)
    • DEA No. 2835
    • OXAZEPAM [HSDB]
    • OXAZEPAM [USAN]
    • OXAZEPAM [INN]
    • OXAZEPAM [JAN]
    • OXAZEPAM [MI]
    • OXAZEPAM [VANDF]
    • (.+/-.)-Oxazepam
    • CHEMBL568
    • OXAZEPAM [WHO-DD]
    • (+-)-7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
    • Oprea1_501459
    • SCHEMBL27435
    • Temazepam impurity, oxazepam-
    • DivK1c_000986
    • OXAZEPAM [ORANGE BOOK]
    • GTPL7253
    • ADIMAYPTOBDMTL-UHFFFAOYSA-

  • Applications

    Oxazepam (CAS 604-75-1) is a benzodiazepine used clinically as an active pharmaceutical ingredient for the treatment of anxiety disorders and related insomnia; in addition to patient therapy, it serves in pharmacological research and toxicology studies as a reference compound for assessing drug behavior, metabolism, and safety; in analytical chemistry and quality control, it is employed as a standard for method development and validation (e.g., HPLC/LC-MS) and for impurity profiling in benzodiazepine drug products; it may also be used as a reagent or benchmark in academic and pharmaceutical research settings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.37
    methanol 10.21
    isopropanol 3.44
    water 0.03
    ethyl acetate 7.96
    n-propanol 4.99
    acetone 16.81
    n-butanol 3.91
    acetonitrile 4.55
    DMF 133.65
    toluene 6.45
    isobutanol 3.2
    1,4-dioxane 15.95
    methyl acetate 10.5
    THF 57.1
    2-butanone 17.73
    n-pentanol 5.24
    sec-butanol 3.33
    n-hexane 0.03
    ethylene glycol 7.48
    NMP 54.78
    cyclohexane 0.07
    DMSO 56.46
    n-butyl acetate 8.19
    n-octanol 5.01
    chloroform 10.38
    n-propyl acetate 8.77
    acetic acid 13.53
    dichloromethane 11.83
    cyclohexanone 26.56
    propylene glycol 5.9
    isopropyl acetate 6.28
    DMAc 110.7
    2-ethoxyethanol 23.25
    isopentanol 4.8
    n-heptane 0.16
    ethyl formate 10.81
    1,2-dichloroethane 9.09
    n-hexanol 6.57
    2-methoxyethanol 36.58
    isobutyl acetate 5.36
    tetrachloromethane 0.6
    n-pentyl acetate 9.93
    transcutol 42.18
    n-heptanol 7.5
    ethylbenzene 2.88
    MIBK 8.35
    2-propoxyethanol 25.21
    tert-butanol 4.77
    MTBE 2.83
    2-butoxyethanol 20.27
    propionic acid 7.25
    o-xylene 3.88
    formic acid 14.43
    diethyl ether 2.05
    m-xylene 3.59
    p-xylene 3.42
    chlorobenzene 7.02
    dimethyl carbonate 17.07
    n-octane 0.12
    formamide 28.24
    cyclopentanone 48.43
    2-pentanone 11.82
    anisole 11.83
    cyclopentyl methyl ether 10.07
    gamma-butyrolactone 45.06
    1-methoxy-2-propanol 23.01
    pyridine 37.88
    3-pentanone 8.03
    furfural 60.71
    n-dodecane 0.18
    diethylene glycol 27.16
    diisopropyl ether 0.79
    tert-amyl alcohol 4.45
    acetylacetone 20.17
    n-hexadecane 0.21
    acetophenone 18.08
    methyl propionate 13.04
    isopentyl acetate 8.27
    trichloroethylene 31.78
    n-nonanol 5.47
    cyclohexanol 4.71
    benzyl alcohol 18.4
    2-ethylhexanol 4.77
    isooctanol 6.03
    dipropyl ether 3.99
    1,2-dichlorobenzene 7.07
    ethyl lactate 11.61
    propylene carbonate 18.9
    n-methylformamide 34.43
    2-pentanol 2.47
    n-pentane 0.03
    1-propoxy-2-propanol 16.23
    1-methoxy-2-propyl acetate 16.27
    2-(2-methoxypropoxy) propanol 18.03
    mesitylene 1.72
    ε-caprolactone 20.98
    p-cymene 3.0
    epichlorohydrin 51.96
    1,1,1-trichloroethane 3.51
    2-aminoethanol 9.4
    morpholine-4-carbaldehyde 59.57
    sulfolane 57.51
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 13.66
    n-hexyl acetate 9.54
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 22.98
    sec-butyl acetate 5.62
    tert-butyl acetate 7.13
    decalin 0.15
    glycerin 17.3
    diglyme 42.34
    acrylic acid 11.28
    isopropyl myristate 4.79
    n-butyric acid 9.34
    acetyl acetate 6.89
    di(2-ethylhexyl) phthalate 8.58
    ethyl propionate 7.8
    nitromethane 31.18
    1,2-diethoxyethane 10.81
    benzonitrile 15.81
    trioctyl phosphate 5.76
    1-bromopropane 1.99
    gamma-valerolactone 64.51
    n-decanol 4.15
    triethyl phosphate 6.13
    4-methyl-2-pentanol 2.62
    propionitrile 5.68
    vinylene carbonate 21.04
    1,1,2-trichlorotrifluoroethane 49.03
    DMS 11.6
    cumene 2.04
    2-octanol 4.33
    2-hexanone 11.0
    octyl acetate 6.85
    limonene 3.3
    1,2-dimethoxyethane 36.27
    ethyl orthosilicate 5.79
    tributyl phosphate 5.53
    diacetone alcohol 16.27
    N,N-dimethylaniline 9.4
    acrylonitrile 13.61
    aniline 13.73
    1,3-propanediol 11.23
    bromobenzene 5.66
    dibromomethane 4.1
    1,1,2,2-tetrachloroethane 20.59
    2-methyl-cyclohexyl acetate 9.28
    tetrabutyl urea 10.42
    diisobutyl methanol 3.01
    2-phenylethanol 17.3
    styrene 3.84
    dioctyl adipate 9.35
    dimethyl sulfate 29.52
    ethyl butyrate 7.59
    methyl lactate 19.23
    butyl lactate 12.81
    diethyl carbonate 6.18
    propanediol butyl ether 17.18
    triethyl orthoformate 7.38
    p-tert-butyltoluene 2.71
    methyl 4-tert-butylbenzoate 17.33
    morpholine 23.88
    tert-butylamine 1.74
    n-dodecanol 3.03
    dimethoxymethane 42.25
    ethylene carbonate 13.92
    cyrene 27.22
    2-ethoxyethyl acetate 15.75
    2-ethylhexyl acetate 6.23
    1,2,4-trichlorobenzene 11.0
    4-methylpyridine 27.58
    dibutyl ether 3.54
    2,6-dimethyl-4-heptanol 3.01
    DEF 20.96
    dimethyl isosorbide 29.98
    tetrachloroethylene 11.65
    eugenol 21.43
    triacetin 14.09
    span 80 14.51
    1,4-butanediol 6.68
    1,1-dichloroethane 4.09
    2-methyl-1-pentanol 5.43
    methyl formate 29.92
    2-methyl-1-butanol 4.09
    n-decane 0.25
    butyronitrile 5.35
    3,7-dimethyl-1-octanol 4.35
    1-chlorooctane 1.69
    1-chlorotetradecane 0.82
    n-nonane 0.16
    undecane 0.21
    tert-butylcyclohexane 0.15
    cyclooctane 0.05
    cyclopentanol 7.04
    tetrahydropyran 8.9
    tert-amyl methyl ether 3.44
    2,5,8-trioxanonane 31.47
    1-hexene 0.37
    2-isopropoxyethanol 14.96
    2,2,2-trifluoroethanol 7.75
    methyl butyrate 11.39

    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