Phosphorus oxybromide

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  • Identifiers

    CAS number
    7789-59-5

    Molecular formula
    Br3OP

    SMILES
    O=P(Br)(Br)Br

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 73.29%
    Savory 19.93%
    Sulfurous 18.8%
    Meaty 18.07%
    Cooked 17.11%
    Roasted 14.3%
    Sweet 13.89%
    Fresh 13.8%
    Pungent 13.34%
    Fishy 13.16%

     

    Flavor
    Odorless 46.03%
    Bland 20.43%
    Mousy 19.72%
    Sulfurous 19.26%
    Rotten 19.15%
    Formyl 19.01%
    Soy 18.0%
    Scallion 17.76%
    Decomposing cabbage 17.68%
    Bloody 17.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    -8.17 (strong acid)

    Molecular weight
    286.69 g/mol

    Melting point expt.

    • 133 °F (NOAA, 2007)
    • 56 °C (IN HOT WATER)

    Boiling point

    • AT 758 MM HG IT BOILS AT 193 °C WITH DECOMPOSITION

    Flash point

    • 95.79 ˚C est.

    Solubility expt.

    • SOL IN ETHER, BENZENE, CHLOROFORM, CARBON DISULFIDE, CONCENTRATED SULFURIC ACID

  • Synonyms

    • PHOSPHORUS OXYBROMIDE
    • 7789-59-5
    • Phosphoric tribromide
    • Phosphoryl bromide
    • Phosphorus(V) oxybromide
    • Phosphoryl tribromide
    • Tribromophosphorus oxide
    • MFCD00036298
    • UN1939
    • UN2576
    • Phosphorousoxybromide
    • H98H8Y87QQ
    • POBr3
    • HSDB 1166
    • EINECS 232-177-7
    • Phosphorus (V) oxybromide
    • PHOSPHONYL TRIBROMIDE
    • DTXSID2064868
    • PHOSPHORUS OXYBROMIDE [MI]
    • UN-1939
    • UN-2576
    • PHOSPHORUS BROMIDE OXIDE (PBR3O)
    • Phosphorusoxybromide
    • Phosphorus oxide bromide
    • UNII-H98H8Y87QQ
    • phosphoryltribromide
    • UN2576 (molten)
    • Phosphorus oxide bromide; Phosphoryl bromide
    • P O Br3
    • P(O)Br3
    • Phosphorus oxybromide, molten
    • PHOSPHORUS OXYTRIBROMIDE
    • DTXCID8048072
    • Phosphorus(V) oxybromide, >95%
    • PHOSPHORUS OXYBROMIDE, SOLID
    • BBL036466
    • STL559007
    • AKOS007929931
    • FP33982
    • DB-007819
    • NS00046181
    • Phosphorus oxybromide [UN1939] [Corrosive]
    • Phosphorus oxybromide, molten [UN2576] [Corrosive]
    • 232-177-7

  • Applications

    Phosphorus oxybromide (CAS 7789-59-5) is used as a brominating and phosphorylating reagent in organic synthesis, enabling the formation of organophosphorus intermediates and the introduction of phosphorus-containing functionalities into molecules. It commonly serves as an intermediate or starting reagent in the manufacture of pharmaceuticals and agrochemicals, and is used to prepare phosphorus-containing flame retardants and specialty polymers. In coatings, inks, and adhesives, it is employed to install phosphorus groups that enhance performance and durability. It also serves as a building block for electronic and other specialty materials, and may be used to synthesize phosphorus-based catalysts or ligands for industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.11
    methanol 151.84
    isopropanol 110.28
    water 34.22
    ethyl acetate 88.81
    n-propanol 103.39
    acetone 139.53
    n-butanol 96.63
    acetonitrile 72.68
    DMF 365.93
    toluene 83.36
    isobutanol 80.28
    1,4-dioxane 200.72
    methyl acetate 86.64
    THF 341.21
    2-butanone 100.25
    n-pentanol 87.9
    sec-butanol 97.21
    n-hexane 48.29
    ethylene glycol 91.33
    NMP 344.34
    cyclohexane 70.45
    DMSO 366.25
    n-butyl acetate 83.11
    n-octanol 100.28
    chloroform 203.74
    n-propyl acetate 82.26
    acetic acid 109.46
    dichloromethane 187.82
    cyclohexanone 136.85
    propylene glycol 72.16
    isopropyl acetate 86.23
    DMAc 299.66
    2-ethoxyethanol 174.13
    isopentanol 84.05
    n-heptane 62.96
    ethyl formate 77.16
    1,2-dichloroethane 133.26
    n-hexanol 97.64
    2-methoxyethanol 245.64
    isobutyl acetate 60.68
    tetrachloromethane 73.94
    n-pentyl acetate 92.94
    transcutol 267.21
    n-heptanol 91.97
    ethylbenzene 55.04
    MIBK 99.88
    2-propoxyethanol 184.03
    tert-butanol 128.81
    MTBE 111.68
    2-butoxyethanol 146.2
    propionic acid 72.23
    o-xylene 80.68
    formic acid 92.33
    diethyl ether 158.06
    m-xylene 80.89
    p-xylene 56.58
    chlorobenzene 67.4
    dimethyl carbonate 90.1
    n-octane 36.11
    formamide 139.89
    cyclopentanone 183.39
    2-pentanone 114.25
    anisole 104.85
    cyclopentyl methyl ether 201.52
    gamma-butyrolactone 179.19
    1-methoxy-2-propanol 207.91
    pyridine 139.58
    3-pentanone 102.26
    furfural 182.36
    n-dodecane 26.92
    diethylene glycol 178.1
    diisopropyl ether 87.21
    tert-amyl alcohol 107.54
    acetylacetone 123.82
    n-hexadecane 29.01
    acetophenone 108.18
    methyl propionate 102.56
    isopentyl acetate 72.9
    trichloroethylene 166.86
    n-nonanol 94.95
    cyclohexanol 117.45
    benzyl alcohol 93.05
    2-ethylhexanol 79.32
    isooctanol 78.45
    dipropyl ether 128.91
    1,2-dichlorobenzene 73.95
    ethyl lactate 74.36
    propylene carbonate 105.87
    n-methylformamide 140.95
    2-pentanol 95.69
    n-pentane 69.1
    1-propoxy-2-propanol 151.53
    1-methoxy-2-propyl acetate 110.67
    2-(2-methoxypropoxy) propanol 125.91
    mesitylene 70.87
    ε-caprolactone 124.76
    p-cymene 62.69
    epichlorohydrin 184.86
    1,1,1-trichloroethane 102.4
    2-aminoethanol 111.81
    morpholine-4-carbaldehyde 284.37
    sulfolane 271.8
    2,2,4-trimethylpentane 33.63
    2-methyltetrahydrofuran 195.88
    n-hexyl acetate 100.55
    isooctane 31.47
    2-(2-butoxyethoxy)ethanol 158.59
    sec-butyl acetate 69.29
    tert-butyl acetate 107.48
    decalin 33.62
    glycerin 120.37
    diglyme 260.6
    acrylic acid 77.55
    isopropyl myristate 70.98
    n-butyric acid 85.42
    acetyl acetate 67.08
    di(2-ethylhexyl) phthalate 62.23
    ethyl propionate 81.44
    nitromethane 137.16
    1,2-diethoxyethane 127.93
    benzonitrile 77.32
    trioctyl phosphate 57.68
    1-bromopropane 104.35
    gamma-valerolactone 205.18
    n-decanol 79.63
    triethyl phosphate 65.27
    4-methyl-2-pentanol 74.84
    propionitrile 67.91
    vinylene carbonate 87.34
    1,1,2-trichlorotrifluoroethane 183.19
    DMS 74.5
    cumene 50.86
    2-octanol 81.7
    2-hexanone 92.21
    octyl acetate 79.97
    limonene 84.67
    1,2-dimethoxyethane 240.3
    ethyl orthosilicate 68.18
    tributyl phosphate 56.38
    diacetone alcohol 133.52
    N,N-dimethylaniline 124.3
    acrylonitrile 80.3
    aniline 98.68
    1,3-propanediol 114.76
    bromobenzene 64.46
    dibromomethane 151.42
    1,1,2,2-tetrachloroethane 172.83
    2-methyl-cyclohexyl acetate 81.97
    tetrabutyl urea 94.88
    diisobutyl methanol 76.05
    2-phenylethanol 94.67
    styrene 61.98
    dioctyl adipate 85.74
    dimethyl sulfate 145.63
    ethyl butyrate 84.61
    methyl lactate 103.09
    butyl lactate 85.45
    diethyl carbonate 59.34
    propanediol butyl ether 125.84
    triethyl orthoformate 83.69
    p-tert-butyltoluene 67.08
    methyl 4-tert-butylbenzoate 134.43
    morpholine 217.89
    tert-butylamine 108.94
    n-dodecanol 68.92
    dimethoxymethane 295.54
    ethylene carbonate 77.43
    cyrene 144.35
    2-ethoxyethyl acetate 100.31
    2-ethylhexyl acetate 67.4
    1,2,4-trichlorobenzene 88.41
    4-methylpyridine 129.27
    dibutyl ether 96.02
    2,6-dimethyl-4-heptanol 76.05
    DEF 176.24
    dimethyl isosorbide 190.51
    tetrachloroethylene 137.07
    eugenol 134.24
    triacetin 104.96
    span 80 127.6
    1,4-butanediol 71.01
    1,1-dichloroethane 108.07
    2-methyl-1-pentanol 74.22
    methyl formate 114.67
    2-methyl-1-butanol 78.22
    n-decane 40.66
    butyronitrile 73.57
    3,7-dimethyl-1-octanol 84.38
    1-chlorooctane 79.02
    1-chlorotetradecane 43.83
    n-nonane 41.34
    undecane 32.25
    tert-butylcyclohexane 32.92
    cyclooctane 47.5
    cyclopentanol 144.4
    tetrahydropyran 166.14
    tert-amyl methyl ether 123.31
    2,5,8-trioxanonane 207.4
    1-hexene 71.37
    2-isopropoxyethanol 133.99
    2,2,2-trifluoroethanol 86.66
    methyl butyrate 93.12

    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