Halazone

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  • Identifiers

    CAS number
    80-13-7

    Molecular formula
    C7H5Cl2NO4S

    SMILES
    C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 85.0%
    Savory 22.63%
    Cooked 22.21%
    Bitter 19.26%
    Sulfurous 17.16%
    Burnt 17.01%
    Roasted 16.61%
    Meaty 16.26%
    Pungent 15.13%
    Milky 12.45%

     

    Flavor
    Bitter 65.76%
    Odorless 46.27%
    Mild 25.19%
    Bland 24.41%
    Very mild 21.41%
    Nitrile 20.77%
    Yeast 20.18%
    Bread crust 19.32%
    Taco 19.11%
    Roasted peanuts 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    4.97 (weak acid)

    Molecular weight
    270.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Melting point expt.

    • 415 °F (NTP, 1992)

    Flash point

    • 213.36 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • halazone
    • 80-13-7
    • Halazon
    • Pantocid
    • Pantocide
    • 4-(Dichlorosulfamoyl)benzoic Acid
    • Cloritines
    • Pantosid
    • Pentocid
    • Zeptabs
    • Pantotsid
    • Halazonum
    • p-(Dichlorosulfamoyl)benzoic acid
    • Halazone [INN]
    • p-Sulfondichloramidobenzoic acid
    • p-Carboxybenzenesulfondichloroamide
    • Parasulfondichloramido benzoic acid
    • p-(N,N-Dichlorosulfamyl)benzoic acid
    • 4-(N,N-Dichlorosulfamoyl)benzoic acid
    • Halazona
    • p-(N,N-Dichlorosulfamoyl)benzoic acid
    • Benzoic acid, 4-((dichloroamino)sulfonyl)-
    • Benzoic acid, 4-[(dichloroamino)sulfonyl]-
    • Benzoic acid, p-(dichlorosulfamoyl)-
    • NSC 60717
    • NSC-60717
    • p-Dichlorosulfamoylbenzoic acid
    • G359OL82VB
    • DTXSID9025370
    • HALAZONE [MI]
    • HALAZONE [MART.]
    • HALAZONE [WHO-DD]
    • Kyselina p-N,N-dichlorsulfamoylbenzoova
    • 4-[(dichloroamino)sulfonyl]benzoic acid
    • DTXCID205370
    • HALAZONE [USP MONOGRAPH]
    • 4-((dichloroamino)sulfonyl)benzoic acid
    • NCGC00091225-02
    • Halazono
    • HALAZONE (MART.)
    • HALAZONE (USP MONOGRAPH)
    • Caswell No. 326
    • Halazonum [INN-Latin]
    • Halazono [INN-Spanish]
    • p-Sulfondichloramidobenzoic acid;Pentocid; Zeptabs;NSC 60717; Pantocid
    • CAS-80-13-7
    • CCRIS 6243
    • Halazone [USP:INN]
    • EINECS 201-253-1
    • EPA Pesticide Chemical Code 077201
    • BRN 2740018
    • UNII-G359OL82VB
    • 4benzoic acid
    • Kyselina p-N,N-dichlorsulfamoylbenzoova [Czech]
    • Halazone (USP/INN)
    • Spectrum_000839
    • WLN: QVR DSWNGG
    • Spectrum2_000670
    • Spectrum3_000447
    • Spectrum4_000569
    • Spectrum5_000786
    • pDichlorosulfamoylbenzoic acid
    • SCHEMBL29353
    • BSPBio_002094
    • KBioGR_000978
    • KBioSS_001319
    • 2-11-00-00220 (Beilstein Handbook Reference)
    • DivK1c_000683
    • pSulfondichloramidobenzoic acid
    • pSulfondichloramidobenzoid acid
    • SPECTRUM1500324
    • SPBio_000739
    • p(Dichlorosulfamoyl)benzoic acid
    • CHEMBL1368146
    • pCarboxybenzenesulfondichloroamide
    • HMS502C05
    • KBio1_000683
    • KBio2_001319
    • KBio2_003887
    • KBio2_006455
    • KBio3_001314
    • NINDS_000683
    • Benzoic acid, p(dichlorosulfamoyl)
    • HMS1920B21
    • HMS2091J07
    • p(N,NDichlorosulfamyl)benzoic acid
    • Pharmakon1600-01500324
    • HY-B1386
    • NSC60717
    • p(N,NDichlorosulfamoyl)benzoic acid
    • 4(N,NDichlorosulfamoyl)benzoic acid
    • 4CarboxyN,Ndichlorobenzenesulfonamide
    • Kyselina pN,Ndichlorsulfamoylbenzoova
    • Tox21_111104
    • Tox21_202519
    • CCG-39876
    • MFCD00045858
    • NSC757053
    • s6440
    • AKOS015891386
    • P-SULFONDICHLORAMIDOBENZOID ACID
    • Tox21_111104_1
    • NSC-757053
    • IDI1_000683
    • NCGC00091225-01
    • NCGC00091225-03
    • NCGC00091225-04
    • NCGC00091225-06
    • NCGC00260068-01
    • Benzoic acid, 4((dichloroamino)sulfonyl)
    • DA-53823
    • PARASULFONDICHLOROAMIDO BENZOIC ACID
    • SBI-0051400.P003
    • 4-(N,N-DICHLOROSULFAMYL)BENZOIC ACID
    • CS-0013119
    • H0348
    • NS00041233
    • 4-CARBOXY-N,N-DICHLOROBENZENESULFONAMIDE
    • D02446
    • D90842
    • AB00052007_02
    • SR-05000001638
    • Q4344352
    • SR-05000001638-1
    • BRD-K68091065-001-04-7
    • p-(N,N-Dichlorosulfamyl)benzoic acid, analytical standard, >=70% (TLC)
    • 201-253-1

  • Applications

    Halazone is a chlorine-releasing disinfectant primarily used in portable water disinfection tablets for field water, disaster relief, and military applications. It is also regarded as a chemical intermediate that may be used in the synthesis of other chlorinated disinfectants and related water-treatment derivatives. In laboratory settings, halazone is employed to disinfect water used for experiments and to sanitize equipment. In industrial contexts, it can serve as a component in cleaning and disinfection processes for process water systems and manufacturing facilities. It may also be considered as an active chlorine-releasing ingredient in cleaning formulations and sanitizers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.77
    methanol 40.32
    isopropanol 13.97
    water 0.41
    ethyl acetate 19.88
    n-propanol 16.81
    acetone 54.5
    n-butanol 13.63
    acetonitrile 13.11
    DMF 318.98
    toluene 7.45
    isobutanol 8.53
    1,4-dioxane 28.21
    methyl acetate 27.06
    THF 70.03
    2-butanone 54.45
    n-pentanol 12.4
    sec-butanol 18.18
    n-hexane 0.4
    ethylene glycol 13.99
    NMP 212.62
    cyclohexane 0.61
    DMSO 155.96
    n-butyl acetate 22.42
    n-octanol 15.99
    chloroform 8.28
    n-propyl acetate 17.51
    acetic acid 12.72
    dichloromethane 12.09
    cyclohexanone 42.61
    propylene glycol 12.77
    isopropyl acetate 17.0
    DMAc 226.47
    2-ethoxyethanol 56.15
    isopentanol 10.19
    n-heptane 1.11
    ethyl formate 20.41
    1,2-dichloroethane 13.87
    n-hexanol 17.32
    2-methoxyethanol 97.94
    isobutyl acetate 4.58
    tetrachloromethane 1.14
    n-pentyl acetate 25.68
    transcutol 90.37
    n-heptanol 16.23
    ethylbenzene 4.74
    MIBK 20.48
    2-propoxyethanol 60.98
    tert-butanol 16.08
    MTBE 14.12
    2-butoxyethanol 38.7
    propionic acid 12.56
    o-xylene 8.33
    formic acid 27.32
    diethyl ether 17.39
    m-xylene 6.26
    p-xylene 4.56
    chlorobenzene 4.77
    dimethyl carbonate 23.98
    n-octane 0.8
    formamide 85.27
    cyclopentanone 69.12
    2-pentanone 43.07
    anisole 19.78
    cyclopentyl methyl ether 24.26
    gamma-butyrolactone 67.28
    1-methoxy-2-propanol 71.11
    pyridine 35.56
    3-pentanone 32.24
    furfural 68.38
    n-dodecane 0.68
    diethylene glycol 49.54
    diisopropyl ether 4.89
    tert-amyl alcohol 21.55
    acetylacetone 53.05
    n-hexadecane 0.76
    acetophenone 28.98
    methyl propionate 34.11
    isopentyl acetate 14.89
    trichloroethylene 23.31
    n-nonanol 15.84
    cyclohexanol 11.81
    benzyl alcohol 18.26
    2-ethylhexanol 10.25
    isooctanol 9.73
    dipropyl ether 12.48
    1,2-dichlorobenzene 5.95
    ethyl lactate 20.0
    propylene carbonate 26.25
    n-methylformamide 98.42
    2-pentanol 12.24
    n-pentane 0.58
    1-propoxy-2-propanol 43.52
    1-methoxy-2-propyl acetate 39.28
    2-(2-methoxypropoxy) propanol 41.82
    mesitylene 4.14
    ε-caprolactone 37.74
    p-cymene 6.36
    epichlorohydrin 53.58
    1,1,1-trichloroethane 4.67
    2-aminoethanol 21.96
    morpholine-4-carbaldehyde 131.28
    sulfolane 114.53
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 31.12
    n-hexyl acetate 27.29
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 52.08
    sec-butyl acetate 10.96
    tert-butyl acetate 22.99
    decalin 0.51
    glycerin 25.93
    diglyme 78.02
    acrylic acid 13.79
    isopropyl myristate 10.41
    n-butyric acid 14.56
    acetyl acetate 9.93
    di(2-ethylhexyl) phthalate 10.43
    ethyl propionate 17.54
    nitromethane 52.54
    1,2-diethoxyethane 29.62
    benzonitrile 13.53
    trioctyl phosphate 9.67
    1-bromopropane 6.13
    gamma-valerolactone 98.69
    n-decanol 12.3
    triethyl phosphate 10.01
    4-methyl-2-pentanol 6.34
    propionitrile 12.34
    vinylene carbonate 20.36
    1,1,2-trichlorotrifluoroethane 50.11
    DMS 18.36
    cumene 3.11
    2-octanol 14.13
    2-hexanone 25.73
    octyl acetate 15.85
    limonene 9.42
    1,2-dimethoxyethane 77.94
    ethyl orthosilicate 8.58
    tributyl phosphate 9.82
    diacetone alcohol 47.4
    N,N-dimethylaniline 21.49
    acrylonitrile 22.59
    aniline 15.19
    1,3-propanediol 26.27
    bromobenzene 3.5
    dibromomethane 6.83
    1,1,2,2-tetrachloroethane 19.6
    2-methyl-cyclohexyl acetate 14.4
    tetrabutyl urea 25.88
    diisobutyl methanol 6.46
    2-phenylethanol 24.11
    styrene 5.35
    dioctyl adipate 13.81
    dimethyl sulfate 55.53
    ethyl butyrate 17.47
    methyl lactate 36.2
    butyl lactate 25.77
    diethyl carbonate 9.48
    propanediol butyl ether 35.73
    triethyl orthoformate 12.8
    p-tert-butyltoluene 6.55
    methyl 4-tert-butylbenzoate 32.55
    morpholine 48.42
    tert-butylamine 7.23
    n-dodecanol 8.53
    dimethoxymethane 111.55
    ethylene carbonate 14.3
    cyrene 44.48
    2-ethoxyethyl acetate 33.39
    2-ethylhexyl acetate 12.04
    1,2,4-trichlorobenzene 8.89
    4-methylpyridine 33.21
    dibutyl ether 11.19
    2,6-dimethyl-4-heptanol 6.46
    DEF 86.52
    dimethyl isosorbide 66.42
    tetrachloroethylene 13.17
    eugenol 37.89
    triacetin 21.99
    span 80 27.02
    1,4-butanediol 11.73
    1,1-dichloroethane 7.02
    2-methyl-1-pentanol 9.79
    methyl formate 59.37
    2-methyl-1-butanol 10.67
    n-decane 1.15
    butyronitrile 11.39
    3,7-dimethyl-1-octanol 10.62
    1-chlorooctane 5.58
    1-chlorotetradecane 2.18
    n-nonane 0.97
    undecane 0.89
    tert-butylcyclohexane 0.43
    cyclooctane 0.38
    cyclopentanol 14.47
    tetrahydropyran 17.02
    tert-amyl methyl ether 17.9
    2,5,8-trioxanonane 62.32
    1-hexene 2.37
    2-isopropoxyethanol 29.33
    2,2,2-trifluoroethanol 11.49
    methyl butyrate 25.85

    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