Phenyl chloroformate

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  • Identifiers

    CAS number
    1885-14-9

    Molecular formula
    C7H5ClO2

    SMILES
    C1=CC=C(C=C1)OC(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 57.1%
    Phenolic 56.3%
    Honey 48.67%
    Balsamic 48.11%
    Animal 43.08%
    Aromatic 31.23%
    Odorless 29.28%
    Powdery 27.38%
    Sweet 26.71%
    Medicinal 26.28%

     

    Flavor
    Sweet 43.91%
    Phenolic 39.69%
    Sour 37.19%
    Odorless 36.44%
    Mild 36.0%
    Honey 32.59%
    Balsam 31.53%
    Nutty 30.8%
    Faint 29.41%
    Balsamic 26.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.77 (neutral)

    Molecular weight
    156.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -28 °C

    Boiling point

    • 188-189 °C

    Flash point

    • 80.6 ˚C est.
    • 69 °C c.c.

    Solubility expt.

    • Solubility in water: reaction

  • Synonyms

    • PHENYL CHLOROFORMATE
    • 1885-14-9
    • phenyl carbonochloridate
    • Phenyl chlorocarbonate
    • Chloroformic acid phenyl ester
    • Carbonochloridic acid, phenyl ester
    • Phenoxycarbonyl chloride
    • PHENYLCHLOROFORMATE
    • Formic acid, chloro-, phenyl ester
    • Fenylester kyseliny chlormravenci
    • Carbonochloridic acid phenyl ester
    • NSC 210946
    • UNII-6TND0D6D3Y
    • EINECS 217-547-8
    • 6TND0D6D3Y
    • TL 398
    • UN2746
    • BRN 0606778
    • Fenylester kyseliny chlormravenci [Czech]
    • DTXSID9044403
    • phenyloxycarbonyl chloride
    • NSC-210946
    • PHENYLCHLOROFORMIC ACID
    • DTXCID7024403
    • EC 217-547-8
    • 4-06-00-00629 (Beilstein Handbook Reference)
    • UN 2746
    • MFCD00000637
    • phenychloroformate
    • phenylchlorformate
    • Phenyl chloroformat
    • Phenyl choroformate
    • PhOCOCl
    • Phenyl chioroformate
    • ClCO2Ph
    • Phenyl chloroform ate
    • phenoxycarbonylchloride
    • phenylcarbonochloridate
    • Phenyl chloridocarbonate
    • WLN: GVOR
    • Phenyl chloridocarbonate #
    • Phenyl chloroformate, 97%
    • Phenyl chloroformate, 99%
    • SCHEMBL3302
    • chloroformic acid-phenyl ester
    • Formic acid, chloro, phenyl ester
    • BCP14449
    • Tox21_303763
    • BBL011406
    • NSC210946
    • STL146510
    • AKOS000120952
    • FP31271
    • NCGC00357059-01
    • BP-31146
    • CAS-1885-14-9
    • Formic acid, chloro-, phenyl ester (8CI)
    • Phenyl chloroformate [UN2746] [Poison]
    • NS00001522
    • EN300-20701
    • Phenyl chloroformate, purum, >=98.0% (GC)
    • Q16760605
    • F0001-0676
    • 217-547-8

  • Applications

    Phenyl chloroformate (CAS 1885-14-9) is a reactive acylating/chloroformate reagent used to introduce carbonate and carbamate functionalities in organic synthesis. Common real-world applications include protecting amines as carbamates; converting alcohols to phenyl carbonates; serving as an intermediate for polyurethane and polycarbonate production by introducing carbonate or urethane linkages; enabling synthesis of pharmaceutical and agrochemical intermediates via carbamoylation; and enabling preparation of functionalized polymers and coatings through carbonate/urethane chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 854.13
    methanol 893.93
    isopropanol 505.62
    water 0.45
    ethyl acetate 1316.48
    n-propanol 493.39
    acetone 2792.44
    n-butanol 460.06
    acetonitrile 1739.72
    DMF 5288.12
    toluene 663.25
    isobutanol 357.28
    1,4-dioxane 1495.58
    methyl acetate 1470.37
    THF 3068.08
    2-butanone 1769.75
    n-pentanol 281.38
    sec-butanol 505.27
    n-hexane 37.08
    ethylene glycol 174.39
    NMP 2398.53
    cyclohexane 85.38
    DMSO 4429.79
    n-butyl acetate 472.69
    n-octanol 221.79
    chloroform 1271.21
    n-propyl acetate 562.58
    acetic acid 958.63
    dichloromethane 1996.05
    cyclohexanone 1356.02
    propylene glycol 194.0
    isopropyl acetate 547.53
    DMAc 2427.06
    2-ethoxyethanol 614.07
    isopentanol 418.35
    n-heptane 41.53
    ethyl formate 667.46
    1,2-dichloroethane 1682.99
    n-hexanol 268.62
    2-methoxyethanol 1458.14
    isobutyl acetate 261.03
    tetrachloromethane 107.24
    n-pentyl acetate 332.79
    transcutol 2638.71
    n-heptanol 139.09
    ethylbenzene 223.93
    MIBK 519.6
    2-propoxyethanol 569.9
    tert-butanol 625.57
    MTBE 650.94
    2-butoxyethanol 325.49
    propionic acid 480.38
    o-xylene 268.2
    formic acid 284.58
    diethyl ether 905.31
    m-xylene 284.8
    p-xylene 253.35
    chlorobenzene 607.45
    dimethyl carbonate 634.48
    n-octane 20.76
    formamide 1055.53
    cyclopentanone 2135.68
    2-pentanone 1370.15
    anisole 631.37
    cyclopentyl methyl ether 991.96
    gamma-butyrolactone 1922.22
    1-methoxy-2-propanol 959.28
    pyridine 1939.7
    3-pentanone 880.76
    furfural 1573.77
    n-dodecane 25.32
    diethylene glycol 488.2
    diisopropyl ether 191.08
    tert-amyl alcohol 550.04
    acetylacetone 1479.22
    n-hexadecane 28.69
    acetophenone 540.16
    methyl propionate 1141.59
    isopentyl acetate 371.3
    trichloroethylene 2867.92
    n-nonanol 184.79
    cyclohexanol 433.97
    benzyl alcohol 400.73
    2-ethylhexanol 171.81
    isooctanol 118.17
    dipropyl ether 254.31
    1,2-dichlorobenzene 479.69
    ethyl lactate 218.7
    propylene carbonate 834.07
    n-methylformamide 1668.87
    2-pentanol 361.96
    n-pentane 46.93
    1-propoxy-2-propanol 389.32
    1-methoxy-2-propyl acetate 528.89
    2-(2-methoxypropoxy) propanol 437.11
    mesitylene 141.53
    ε-caprolactone 983.07
    p-cymene 112.61
    epichlorohydrin 2687.22
    1,1,1-trichloroethane 939.76
    2-aminoethanol 298.51
    morpholine-4-carbaldehyde 1705.92
    sulfolane 2116.69
    2,2,4-trimethylpentane 28.27
    2-methyltetrahydrofuran 1812.61
    n-hexyl acetate 540.85
    isooctane 23.91
    2-(2-butoxyethoxy)ethanol 652.64
    sec-butyl acetate 328.15
    tert-butyl acetate 568.1
    decalin 46.53
    glycerin 255.06
    diglyme 1329.0
    acrylic acid 518.34
    isopropyl myristate 187.87
    n-butyric acid 601.83
    acetyl acetate 702.99
    di(2-ethylhexyl) phthalate 162.4
    ethyl propionate 517.72
    nitromethane 2949.95
    1,2-diethoxyethane 693.54
    benzonitrile 567.66
    trioctyl phosphate 119.27
    1-bromopropane 749.94
    gamma-valerolactone 1945.87
    n-decanol 141.58
    triethyl phosphate 163.83
    4-methyl-2-pentanol 182.86
    propionitrile 752.62
    vinylene carbonate 683.35
    1,1,2-trichlorotrifluoroethane 979.85
    DMS 578.77
    cumene 116.08
    2-octanol 130.75
    2-hexanone 605.3
    octyl acetate 252.64
    limonene 172.47
    1,2-dimethoxyethane 1361.34
    ethyl orthosilicate 139.78
    tributyl phosphate 163.8
    diacetone alcohol 733.96
    N,N-dimethylaniline 359.41
    acrylonitrile 1166.84
    aniline 560.23
    1,3-propanediol 455.8
    bromobenzene 662.69
    dibromomethane 1106.64
    1,1,2,2-tetrachloroethane 1610.65
    2-methyl-cyclohexyl acetate 239.04
    tetrabutyl urea 240.85
    diisobutyl methanol 109.09
    2-phenylethanol 320.82
    styrene 349.54
    dioctyl adipate 287.41
    dimethyl sulfate 954.48
    ethyl butyrate 340.1
    methyl lactate 444.99
    butyl lactate 244.11
    diethyl carbonate 251.71
    propanediol butyl ether 411.77
    triethyl orthoformate 205.32
    p-tert-butyltoluene 111.08
    methyl 4-tert-butylbenzoate 364.88
    morpholine 1864.15
    tert-butylamine 311.2
    n-dodecanol 110.68
    dimethoxymethane 1998.86
    ethylene carbonate 513.76
    cyrene 384.66
    2-ethoxyethyl acetate 570.52
    2-ethylhexyl acetate 287.54
    1,2,4-trichlorobenzene 581.87
    4-methylpyridine 1628.28
    dibutyl ether 302.27
    2,6-dimethyl-4-heptanol 109.09
    DEF 1487.64
    dimethyl isosorbide 709.27
    tetrachloroethylene 884.44
    eugenol 386.1
    triacetin 507.09
    span 80 341.46
    1,4-butanediol 142.09
    1,1-dichloroethane 1155.01
    2-methyl-1-pentanol 272.0
    methyl formate 1318.46
    2-methyl-1-butanol 395.01
    n-decane 36.02
    butyronitrile 733.13
    3,7-dimethyl-1-octanol 207.65
    1-chlorooctane 159.88
    1-chlorotetradecane 69.47
    n-nonane 34.54
    undecane 29.37
    tert-butylcyclohexane 38.73
    cyclooctane 27.39
    cyclopentanol 543.18
    tetrahydropyran 1401.12
    tert-amyl methyl ether 531.97
    2,5,8-trioxanonane 873.82
    1-hexene 195.72
    2-isopropoxyethanol 374.95
    2,2,2-trifluoroethanol 267.13
    methyl butyrate 699.13

    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