Hydroflumethiazide

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  • Identifiers

    CAS number
    135-09-1

    Molecular formula
    C8H8F3N3O4S2

    SMILES
    C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 88.05%
    Savory 18.36%
    Cooked 17.33%
    Bitter 14.63%
    Cooling 13.84%
    Meaty 12.12%
    Roasted 11.85%
    Pungent 11.69%
    Clean 10.66%
    Burnt 10.66%

     

    Flavor
    Bitter 87.41%
    Odorless 33.55%
    Bland 22.4%
    Nitrile 19.17%
    Taco 18.05%
    Cedarleaf 17.78%
    Bread crust 17.72%
    Sweet-like 17.7%
    Roasted peanuts 17.62%
    Very strong 17.49%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.81 (neutral)

    Molecular weight
    331.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    508°C

    Melting point expt.

    • 272-273
    • 272-273 °C
    • 272 - 273 °C

    Flash point

    • 256.59 ˚C est.

    Solubility expt.

    • >49.7 [ug/mL] (The mean of the results at pH 7.4)
    • 300 mg/L (at 25 °C)
    • Solubility (mg/ml) at 25 °C: acetone >100; methanol 58; acetonitrile 43; water 0.3; ether 0.2; benzene <0.1.
    • INSOL IN ACID
    • Soluble in dilute alkali but unstable in alkaline solutions.
    • SOL IN ALC; FREELY SOL IN ACETONE
    • 8.58e-01 g/L

  • Synonyms

    • hydroflumethiazide
    • 135-09-1
    • Diuredemina
    • Glomerulin
    • Robezon
    • Saluron
    • Hidroflumetiazid
    • Hydroflumethizide
    • Diucardin
    • Diurometon
    • Flutizide
    • Hidroalogen
    • Spandiuril
    • Bristab
    • Enjit
    • Bristurin
    • Elodrine
    • Finuret
    • Hydrenox
    • Leodrine
    • Olmagran
    • Rodiuran
    • Sisuril
    • Vergonil
    • Hydol
    • Rontyl
    • Trifluoromethylhydrothiazide
    • NaClex
    • Di-ademil
    • Dihydroflumethazide
    • Dihydroflumethiazide
    • Trifluoromethylhydrazide
    • Elodrin
    • Hidroflumetiazida
    • Hydroflumethazide
    • Metforylthiadiazin
    • Metflorylthiazidine
    • Rivosil
    • Idroflumetiazide
    • Metforylthiazidin
    • Di-adenil
    • Hydroflumethiazidum
    • Methforylthiazidine
    • Naciex (glaxo)
    • 6-(Trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
    • NSC 44627
    • component of Salutensin
    • Hidroflumetiazida [INN-Spanish]
    • Hydroflumethiazidum [INN-Latin]
    • HSDB 3340
    • 3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide
    • EINECS 205-173-8
    • NSC-44627
    • UNII-501CFL162R
    • 6-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    • 6-Trifluoromethyl-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
    • BRN 0342692
    • CHEBI:5784
    • DTXSID3023132
    • 501CFL162R
    • 6-Trifluoromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
    • 7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
    • 3,4-Dihydro-6-trifluoromethyl-7-sulfamoylbenzo-1,2,4-thiadiazine 1,1-dioxide
    • 3,4-Dihydro-7-sulfamyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
    • NSC44627
    • 7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1, 1-dioxide
    • 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
    • MLS000028516
    • DTXCID203132
    • 4-27-00-08035 (Beilstein Handbook Reference)
    • 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
    • 6-(Trifluoromethyl)-3,4-dihydro-2H-benzo-[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
    • Hydroflumethiazide [USP:INN:BAN:JAN]
    • NCGC00016401-01
    • CAS-135-09-1
    • SMR000058284
    • SALUTENSIN COMPONENT HYDROFLUMETHIAZIDE
    • Idroflumetiazide [DCIT]
    • Hidroflumetiazida (INN-Spanish)
    • Hydroflumethiazidum (INN-Latin)
    • HYDROFLUMETHIAZIDE (MART.)
    • HYDROFLUMETHIAZIDE [MART.]
    • HYDROFLUMETHIAZIDE (USP-RS)
    • HYDROFLUMETHIAZIDE [USP-RS]
    • 3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulphonamide 1,1-dioxide
    • Hydroflumethiazide (USP:INN:BAN:JAN)
    • HYDROFLUMETHIAZIDE (USP MONOGRAPH)
    • HYDROFLUMETHIAZIDE [USP MONOGRAPH]
    • Saluron (TN)
    • SR-01000003094
    • Hydroflumethiazide (JAN/USP/INN)
    • Prestwick_268
    • MFCD00057316
    • Spectrum_000905
    • Opera_ID_326
    • Prestwick0_000013
    • Prestwick1_000013
    • Prestwick2_000013
    • Prestwick3_000013
    • Spectrum2_001010
    • Spectrum3_000460
    • Spectrum4_000010
    • Spectrum5_000832
    • cid_3647
    • 3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulphonamide-1,1-dioxide
    • CHEMBL1763
    • SCHEMBL27028
    • BSPBio_000045
    • BSPBio_002140
    • Hydroflumethiazide (Standard)
    • KBioGR_000359
    • KBioSS_001385
    • MLS001148090
    • DivK1c_000512
    • SPECTRUM1500341
    • BMCL182567 Compound 6b
    • SPBio_001139
    • SPBio_001966
    • HYDROFLUMETHIAZIDE [MI]
    • BPBio1_000051
    • GTPL7197
    • HYDROFLUMETHIAZIDE [INN]
    • HYDROFLUMETHIAZIDE [JAN]
    • BDBM25897
    • HMS501J14
    • HYDROFLUMETHIAZIDE [HSDB]
    • KBio1_000512

  • Applications

    Hydroflumethiazide (CAS 135-09-1) is primarily used as an active pharmaceutical ingredient in thiazide-type diuretics for the treatment of edema and hypertension. It is involved in pharmaceutical research and development for formulation studies and stability testing. In analytical laboratories, it is used as a reference compound for method development, validation, and quality control of diuretic products. Additionally, it can serve as an intermediate or building block in the synthesis and exploration of related thiazide diuretics in medicinal chemistry investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.15
    methanol 62.36
    isopropanol 6.94
    water 1.94
    ethyl acetate 22.24
    n-propanol 7.06
    acetone 102.61
    n-butanol 4.49
    acetonitrile 51.67
    DMF 204.65
    toluene 1.32
    isobutanol 2.98
    1,4-dioxane 53.42
    methyl acetate 43.42
    THF 62.05
    2-butanone 41.96
    n-pentanol 2.26
    sec-butanol 4.17
    n-hexane 0.07
    ethylene glycol 11.63
    NMP 173.25
    cyclohexane 0.35
    DMSO 372.09
    n-butyl acetate 14.97
    n-octanol 2.85
    chloroform 2.34
    n-propyl acetate 13.08
    acetic acid 28.32
    dichloromethane 7.35
    cyclohexanone 32.48
    propylene glycol 5.67
    isopropyl acetate 9.21
    DMAc 174.44
    2-ethoxyethanol 28.68
    isopentanol 2.6
    n-heptane 0.24
    ethyl formate 32.32
    1,2-dichloroethane 7.32
    n-hexanol 3.47
    2-methoxyethanol 75.54
    isobutyl acetate 2.3
    tetrachloromethane 0.41
    n-pentyl acetate 8.01
    transcutol 24.99
    n-heptanol 3.19
    ethylbenzene 0.63
    MIBK 6.17
    2-propoxyethanol 30.76
    tert-butanol 5.48
    MTBE 3.59
    2-butoxyethanol 16.7
    propionic acid 12.4
    o-xylene 1.24
    formic acid 49.65
    diethyl ether 9.74
    m-xylene 0.65
    p-xylene 0.87
    chlorobenzene 1.46
    dimethyl carbonate 28.11
    n-octane 0.12
    formamide 128.88
    cyclopentanone 70.04
    2-pentanone 19.51
    anisole 6.71
    cyclopentyl methyl ether 7.79
    gamma-butyrolactone 90.38
    1-methoxy-2-propanol 28.2
    pyridine 30.38
    3-pentanone 16.62
    furfural 82.08
    n-dodecane 0.12
    diethylene glycol 34.54
    diisopropyl ether 1.11
    tert-amyl alcohol 3.68
    acetylacetone 46.58
    n-hexadecane 0.14
    acetophenone 11.89
    methyl propionate 25.94
    isopentyl acetate 7.27
    trichloroethylene 8.3
    n-nonanol 2.77
    cyclohexanol 2.46
    benzyl alcohol 4.75
    2-ethylhexanol 1.94
    isooctanol 1.69
    dipropyl ether 5.26
    1,2-dichlorobenzene 1.55
    ethyl lactate 9.79
    propylene carbonate 27.69
    n-methylformamide 93.46
    2-pentanol 1.91
    n-pentane 0.14
    1-propoxy-2-propanol 14.87
    1-methoxy-2-propyl acetate 19.9
    2-(2-methoxypropoxy) propanol 14.47
    mesitylene 0.45
    ε-caprolactone 27.59
    p-cymene 1.11
    epichlorohydrin 46.05
    1,1,1-trichloroethane 1.5
    2-aminoethanol 10.89
    morpholine-4-carbaldehyde 130.44
    sulfolane 111.69
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 17.74
    n-hexyl acetate 7.52
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 16.71
    sec-butyl acetate 4.36
    tert-butyl acetate 7.62
    decalin 0.07
    glycerin 15.21
    diglyme 50.38
    acrylic acid 15.59
    isopropyl myristate 2.94
    n-butyric acid 10.28
    acetyl acetate 17.74
    di(2-ethylhexyl) phthalate 3.8
    ethyl propionate 11.89
    nitromethane 189.96
    1,2-diethoxyethane 12.84
    benzonitrile 7.19
    trioctyl phosphate 3.02
    1-bromopropane 1.76
    gamma-valerolactone 119.01
    n-decanol 2.1
    triethyl phosphate 6.1
    4-methyl-2-pentanol 0.84
    propionitrile 13.35
    vinylene carbonate 25.45
    1,1,2-trichlorotrifluoroethane 27.17
    DMS 13.08
    cumene 0.36
    2-octanol 1.69
    2-hexanone 10.68
    octyl acetate 5.04
    limonene 1.53
    1,2-dimethoxyethane 77.25
    ethyl orthosilicate 4.39
    tributyl phosphate 3.08
    diacetone alcohol 14.05
    N,N-dimethylaniline 3.73
    acrylonitrile 28.25
    aniline 4.15
    1,3-propanediol 15.22
    bromobenzene 0.92
    dibromomethane 2.93
    1,1,2,2-tetrachloroethane 5.0
    2-methyl-cyclohexyl acetate 7.04
    tetrabutyl urea 8.11
    diisobutyl methanol 0.99
    2-phenylethanol 6.76
    styrene 0.87
    dioctyl adipate 5.77
    dimethyl sulfate 46.7
    ethyl butyrate 12.73
    methyl lactate 23.97
    butyl lactate 7.32
    diethyl carbonate 10.34
    propanediol butyl ether 7.66
    triethyl orthoformate 8.01
    p-tert-butyltoluene 0.95
    methyl 4-tert-butylbenzoate 9.86
    morpholine 44.38
    tert-butylamine 1.78
    n-dodecanol 1.49
    dimethoxymethane 85.74
    ethylene carbonate 19.92
    cyrene 24.04
    2-ethoxyethyl acetate 18.13
    2-ethylhexyl acetate 5.65
    1,2,4-trichlorobenzene 2.17
    4-methylpyridine 16.23
    dibutyl ether 2.82
    2,6-dimethyl-4-heptanol 0.99
    DEF 37.2
    dimethyl isosorbide 31.63
    tetrachloroethylene 3.96
    eugenol 11.33
    triacetin 12.0
    span 80 7.57
    1,4-butanediol 4.64
    1,1-dichloroethane 2.46
    2-methyl-1-pentanol 1.3
    methyl formate 96.07
    2-methyl-1-butanol 2.33
    n-decane 0.2
    butyronitrile 9.63
    3,7-dimethyl-1-octanol 1.61
    1-chlorooctane 0.79
    1-chlorotetradecane 0.37
    n-nonane 0.17
    undecane 0.15
    tert-butylcyclohexane 0.04
    cyclooctane 0.11
    cyclopentanol 5.43
    tetrahydropyran 13.14
    tert-amyl methyl ether 3.18
    2,5,8-trioxanonane 34.75
    1-hexene 0.36
    2-isopropoxyethanol 10.83
    2,2,2-trifluoroethanol 17.76
    methyl butyrate 16.88

    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