Trichlormethiazide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    133-67-5

    Molecular formula
    C8H8Cl3N3O4S2

    SMILES
    C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 90.41%
    Savory 18.66%
    Cooked 17.24%
    Bitter 14.09%
    Meaty 12.42%
    Roasted 12.18%
    Pungent 11.61%
    Burnt 11.47%
    Cooling 11.26%
    Popcorn 10.83%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    380.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    683°C

    Melting point expt.

    • 270 dec °C

    Flash point est.
    334.44 ˚C

    Solubility expt.

    • 800 mg/L (at 25 °C)
    • @ 25 °C: 0.8 MG/ML IN WATER; 21 MG/ML IN ETHANOL; 60 MG/ML IN METHANOL
    • 1 G SOL IN ABOUT 10 ML ACETONE, 50 ML ALCOHOL, 5000 ML CHLOROFORM
    • 4.15e-01 g/L

  • Synonyms

    • trichlormethiazide
    • 133-67-5
    • Trichloromethiazide
    • Metahydrin
    • Naqua
    • Trichlormetazid
    • Achletin
    • Trichlormethiazid
    • Diu-Hydrin
    • Chlopolidine
    • Diurazida
    • Intromene
    • Schebitran
    • Triflumen
    • Aponorin
    • Cretonin
    • Diurese
    • Diuroral
    • Esmarin
    • Fluitran
    • Gangesol
    • Hydrotrichlorothiazide
    • Isestran
    • Flutra
    • Nakva
    • Triclordiuride
    • Anistadin
    • Carvacron
    • Kubacron
    • Tachionin
    • Tolcasone
    • Eurinol
    • Triclormetiazide
    • Trichloromethiadiazide
    • Trichlormas
    • Triclormetiazida
    • Trichlordiuride
    • Ciba 7057-Su
    • Salurin (wadel)
    • Trichlormethiazidum
    • 3-Dichloromethylhydrochlorothiazide
    • BRN 0629145
    • NSC 61560
    • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(dichloromethyl)-3,4-dihydro-, 1,1-dioxide
    • Trichlormethiazidum [INN-Latin]
    • HSDB 3406
    • 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
    • EINECS 205-118-8
    • UNII-Q58C92TUN0
    • NSC-61560
    • 3-Dichloromethyl-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
    • CHEBI:9683
    • Q58C92TUN0
    • Triclormetiazida [INN-Spanish]
    • DTXSID7023699
    • 3-Dichloromethyl-6-chloro-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
    • 6-Chloro-3-(dichloromethyl)3,4-dihydro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide
    • 3-Dichloromethyl-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine1,1-dioxide
    • 6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
    • 6-Chloro-3-dichloromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine1,1-dioxide
    • MLS000028705
    • DTXCID803699
    • 6-Chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    • Trichlormethiazide [USP:INN:JAN]
    • NSC61560
    • Naquasone
    • SMR000058712
    • NAQUIVAL COMPONENT TRICHLORMETHIAZIDE
    • METATENSIN COMPONENT TRICHLORMETHIAZIDE
    • Triclormetiazide [DCIT]
    • 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
    • Triclormetiazide [Italian]
    • Triclormetiazida (INN-Spanish)
    • Trichlormethiazidum (INN-Latin)
    • TRICHLORMETHIAZIDE (MART.)
    • TRICHLORMETHIAZIDE [MART.]
    • TRICHLORMETHIAZIDE (USP-RS)
    • Trichlormethiazide (USP:INN:JAN)
    • TRICHLORMETHIAZIDE [USP-RS]
    • (+/-)-6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
    • 2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE, 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-, 1,1-DIOXIDE, (+/-)-
    • TRICHLORMETHIAZIDE (USP MONOGRAPH)
    • TRICHLORMETHIAZIDE [USP MONOGRAPH]
    • Naqua (TN)
    • trichloromethiazide, 6
    • SR-01000000284
    • NCGC00016398-01
    • CAS-133-67-5
    • MFCD00057315
    • Prestwick_1020
    • Spectrum_000520
    • Opera_ID_1588
    • Prestwick0_000825
    • Prestwick1_000825
    • Prestwick2_000825
    • Prestwick3_000825
    • Spectrum2_000948
    • Spectrum3_001373
    • Spectrum4_000367
    • Spectrum5_001074
    • 3-(Dichloromethyl)-6-chloro-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
    • 6-Chloro-3-dichloromethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide
    • CHEMBL1054
    • NCIOpen2_007750
    • Trichlormethiazide, >=98%
    • SCHEMBL25492
    • BSPBio_000749
    • BSPBio_002926
    • KBioGR_000833
    • KBioSS_001000
    • Trichlormethiazide (Achletin)
    • Trichlormethiazide (Standard)
    • (+-)-6-Chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    • MLS001076545
    • DivK1c_000366
    • SPECTRUM1500590
    • SPBio_000916
    • SPBio_002670
    • TRICHLORMETHIAZIDE [MI]
    • BPBio1_000825
    • GTPL7314
    • TRICHLORMETHIAZIDE [INN]
    • TRICHLORMETHIAZIDE [JAN]
    • BDBM26998
    • HMS501C08
    • HY-B0235R
    • KBio1_000366
    • KBio2_001000

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.15
    methanol 49.42
    isopropanol 6.09
    water 1.07
    ethyl acetate 4.57
    n-propanol 7.32
    acetone 49.79
    n-butanol 3.31
    acetonitrile 21.61
    DMF 343.16
    toluene 0.23
    isobutanol 2.16
    1,4-dioxane 21.35
    methyl acetate 12.03
    THF 46.24
    2-butanone 23.03
    n-pentanol 1.6
    sec-butanol 3.13
    n-hexane 0.06
    ethylene glycol 26.59
    NMP 182.94
    cyclohexane 0.15
    DMSO 175.51
    n-butyl acetate 6.01
    n-octanol 1.2
    chloroform 0.37
    n-propyl acetate 6.05
    acetic acid 28.1
    dichloromethane 1.16
    cyclohexanone 16.18
    propylene glycol 21.79
    isopropyl acetate 2.51
    DMAc 198.28
    2-ethoxyethanol 39.06
    isopentanol 1.32
    n-heptane 0.21
    ethyl formate 13.08
    1,2-dichloroethane 1.6
    n-hexanol 1.8
    2-methoxyethanol 105.02
    isobutyl acetate 1.58
    tetrachloromethane 0.05
    n-pentyl acetate 3.83
    transcutol 33.39
    n-heptanol 1.81
    ethylbenzene 0.15
    MIBK 2.62
    2-propoxyethanol 34.26
    tert-butanol 2.61
    MTBE 1.25
    2-butoxyethanol 17.04
    propionic acid 10.41
    o-xylene 0.22
    formic acid 58.72
    diethyl ether 3.43
    m-xylene 0.15
    p-xylene 0.29
    chlorobenzene 0.29
    dimethyl carbonate 11.1
    n-octane 0.09
    formamide 127.5
    cyclopentanone 50.26
    2-pentanone 10.07
    anisole 2.06
    cyclopentyl methyl ether 3.68
    gamma-butyrolactone 59.27
    1-methoxy-2-propanol 51.81
    pyridine 14.36
    3-pentanone 7.59
    furfural 58.92
    n-dodecane 0.05
    diethylene glycol 48.1
    diisopropyl ether 0.36
    tert-amyl alcohol 1.88
    acetylacetone 18.12
    n-hexadecane 0.06
    acetophenone 4.64
    methyl propionate 10.83
    isopentyl acetate 2.89
    trichloroethylene 1.83
    n-nonanol 1.21
    cyclohexanol 1.48
    benzyl alcohol 2.59
    2-ethylhexanol 0.95
    isooctanol 1.02
    dipropyl ether 3.55
    1,2-dichlorobenzene 0.3
    ethyl lactate 11.14
    propylene carbonate 14.01
    n-methylformamide 113.62
    2-pentanol 1.3
    n-pentane 0.09
    1-propoxy-2-propanol 19.93
    1-methoxy-2-propyl acetate 12.48
    2-(2-methoxypropoxy) propanol 14.2
    mesitylene 0.13
    ε-caprolactone 12.91
    p-cymene 0.35
    epichlorohydrin 21.56
    1,1,1-trichloroethane 0.22
    2-aminoethanol 26.49
    morpholine-4-carbaldehyde 148.23
    sulfolane 82.24
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.49
    n-hexyl acetate 2.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 16.85
    sec-butyl acetate 1.84
    tert-butyl acetate 2.41
    decalin 0.03
    glycerin 56.3
    diglyme 47.6
    acrylic acid 16.09
    isopropyl myristate 1.17
    n-butyric acid 7.24
    acetyl acetate 2.81
    di(2-ethylhexyl) phthalate 2.38
    ethyl propionate 4.47
    nitromethane 109.22
    1,2-diethoxyethane 7.25
    benzonitrile 3.1
    trioctyl phosphate 1.57
    1-bromopropane 0.48
    gamma-valerolactone 122.85
    n-decanol 0.91
    triethyl phosphate 2.54
    4-methyl-2-pentanol 0.47
    propionitrile 7.1
    vinylene carbonate 12.37
    1,1,2-trichlorotrifluoroethane 29.25
    DMS 4.49
    cumene 0.12
    2-octanol 0.93
    2-hexanone 6.1
    octyl acetate 1.93
    limonene 0.52
    1,2-dimethoxyethane 61.97
    ethyl orthosilicate 1.91
    tributyl phosphate 1.82
    diacetone alcohol 10.67
    N,N-dimethylaniline 1.96
    acrylonitrile 19.17
    aniline 1.61
    1,3-propanediol 23.02
    bromobenzene 0.15
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 1.51
    2-methyl-cyclohexyl acetate 3.21
    tetrabutyl urea 5.59
    diisobutyl methanol 0.59
    2-phenylethanol 3.3
    styrene 0.22
    dioctyl adipate 3.11
    dimethyl sulfate 23.8
    ethyl butyrate 5.45
    methyl lactate 28.09
    butyl lactate 8.46
    diethyl carbonate 3.45
    propanediol butyl ether 12.97
    triethyl orthoformate 4.32
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 6.55
    morpholine 33.83
    tert-butylamine 0.73
    n-dodecanol 0.66
    dimethoxymethane 77.06
    ethylene carbonate 8.16
    cyrene 31.56
    2-ethoxyethyl acetate 8.6
    2-ethylhexyl acetate 2.14
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 5.52
    dibutyl ether 1.38
    2,6-dimethyl-4-heptanol 0.59
    DEF 21.89
    dimethyl isosorbide 30.55
    tetrachloroethylene 0.88
    eugenol 11.34
    triacetin 7.4
    span 80 8.47
    1,4-butanediol 8.27
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 0.73
    methyl formate 79.15
    2-methyl-1-butanol 1.36
    n-decane 0.1
    butyronitrile 4.48
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.27
    1-chlorotetradecane 0.12
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.06
    cyclopentanol 4.53
    tetrahydropyran 6.09
    tert-amyl methyl ether 1.22
    2,5,8-trioxanonane 30.17
    1-hexene 0.22
    2-isopropoxyethanol 12.3
    2,2,2-trifluoroethanol 11.61
    methyl butyrate 8.36

    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