2-Furancarbonyl chloride

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  • Identifiers

    CAS number
    527-69-5

    Molecular formula
    C5H3ClO2

    SMILES
    C1=COC(=C1)C(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 65.62%
    Burnt 44.27%
    Nutty 39.8%
    Sweet 36.98%
    Roasted 32.95%
    Coffee 30.93%
    Buttery 30.29%
    Odorless 30.29%
    Creamy 27.66%
    Fatty 26.47%

     

    Flavor
    Nutty 44.72%
    Odorless 39.07%
    Popcorn 33.14%
    Bread 31.91%
    Roast 29.74%
    Coffee 29.19%
    Musty 28.56%
    Milky 27.0%
    Cooked 26.65%
    Roasted 25.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.37 (weak acid)

    Molecular weight
    130.53 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 50.21 ˚C est.

  • Synonyms

    • 2-Furoyl chloride
    • 527-69-5
    • 2-Furancarbonyl chloride
    • 2US0DXI75S
    • DTXSID7060176
    • RefChem:87230
    • DTXCID2041258
    • 208-422-9
    • Furoyl chloride
    • Furan-2-carbonyl chloride
    • 1300-32-9
    • Furancarbonyl chloride
    • MFCD00003228
    • 2-furoic acid chloride
    • 2-furoylchloride
    • Pyromucyl chloride
    • 2-Furancarboxylic acid chloride
    • .alpha.-Furoic chloride
    • EINECS 208-422-9
    • UNII-2US0DXI75S
    • furanoyl chloride
    • furan-2-carboxylic acid chloride
    • 2-furanoyl chloride
    • EINECS 215-082-5
    • 2-Chlorocarbonylfuran
    • 2-(Chloroformyl)furan
    • 2-furane-carbonylchloride
    • 2-furanoic acid chloride
    • furan-2-carbonyl-chloride
    • furan-2-carbonyl-chlorine
    • 2-furane-carbonyl chloride
    • furane-2-carbonyl chloride
    • 2-Furoyl chloride, 95%
    • 2-furanyl carbonyl chloride
    • Furan, 2-(chloroformyl)-
    • furan-2-carboxylic chloride
    • SCHEMBL109405
    • furan-2-carboxylicacid chloride
    • 2-(CHLOROCARBONYL)FURAN
    • 2-FUROYL CHLORIDE [MI]
    • 2-furancarboxylic acid, chloride
    • furan-2-yl carboxylic acid chloride
    • AC-465
    • SBB004224
    • STL299683
    • AKOS000121344
    • FS-4394
    • BP-21409
    • ST059918
    • F0233
    • NS00042445
    • Q15634091
    • InChI=1/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3
    • 527-69-5

  • Applications

    2-Furancarbonyl chloride is primarily used as an acylating agent to install the furylcarbonyl moiety into molecules, enabling the preparation of furyl-substituted amides and esters. It serves as an intermediate in the synthesis of furan-containing compounds for pharmaceutical research and development. In polymers and plastics, it is used as a building block or reactive modifier to introduce furylcarbonyl functionality into polymer backbones or as a functional additive. In coatings, inks, and adhesives, it can act as a reactive intermediate for surface modification or crosslinking. In fragrance and flavor chemistry, it may be evaluated as a precursor to furyl-containing fragrance-related compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 487.37
    methanol 750.12
    isopropanol 312.42
    water 5.84
    ethyl acetate 831.39
    n-propanol 345.27
    acetone 1199.11
    n-butanol 334.84
    acetonitrile 920.83
    DMF 2243.98
    toluene 172.2
    isobutanol 260.4
    1,4-dioxane 679.11
    methyl acetate 995.6
    THF 800.73
    2-butanone 815.33
    n-pentanol 295.39
    sec-butanol 332.59
    n-hexane 29.54
    ethylene glycol 234.4
    NMP 1559.11
    cyclohexane 48.73
    DMSO 2209.32
    n-butyl acetate 430.2
    n-octanol 187.79
    chloroform 692.37
    n-propyl acetate 525.13
    acetic acid 879.63
    dichloromethane 941.2
    cyclohexanone 727.98
    propylene glycol 171.21
    isopropyl acetate 365.72
    DMAc 1455.23
    2-ethoxyethanol 746.5
    isopentanol 311.41
    n-heptane 38.53
    ethyl formate 521.28
    1,2-dichloroethane 759.1
    n-hexanol 210.93
    2-methoxyethanol 1075.22
    isobutyl acetate 230.28
    tetrachloromethane 96.25
    n-pentyl acetate 263.41
    transcutol 2253.39
    n-heptanol 125.3
    ethylbenzene 120.11
    MIBK 351.12
    2-propoxyethanol 468.63
    tert-butanol 401.9
    MTBE 370.2
    2-butoxyethanol 303.65
    propionic acid 457.79
    o-xylene 152.41
    formic acid 547.94
    diethyl ether 443.49
    m-xylene 143.05
    p-xylene 151.15
    chlorobenzene 325.45
    dimethyl carbonate 402.11
    n-octane 19.66
    formamide 1130.4
    cyclopentanone 810.12
    2-pentanone 651.96
    anisole 397.3
    cyclopentyl methyl ether 401.72
    gamma-butyrolactone 1014.8
    1-methoxy-2-propanol 689.19
    pyridine 712.62
    3-pentanone 522.67
    furfural 1126.26
    n-dodecane 20.67
    diethylene glycol 524.81
    diisopropyl ether 133.88
    tert-amyl alcohol 388.58
    acetylacetone 866.31
    n-hexadecane 23.15
    acetophenone 436.93
    methyl propionate 722.18
    isopentyl acetate 315.71
    trichloroethylene 1343.63
    n-nonanol 162.66
    cyclohexanol 304.81
    benzyl alcohol 347.44
    2-ethylhexanol 154.25
    isooctanol 109.0
    dipropyl ether 205.86
    1,2-dichlorobenzene 311.12
    ethyl lactate 247.13
    propylene carbonate 527.91
    n-methylformamide 1133.69
    2-pentanol 273.98
    n-pentane 42.76
    1-propoxy-2-propanol 350.6
    1-methoxy-2-propyl acetate 395.07
    2-(2-methoxypropoxy) propanol 394.45
    mesitylene 95.22
    ε-caprolactone 645.31
    p-cymene 93.84
    epichlorohydrin 1084.5
    1,1,1-trichloroethane 510.26
    2-aminoethanol 296.4
    morpholine-4-carbaldehyde 1384.96
    sulfolane 1255.13
    2,2,4-trimethylpentane 31.18
    2-methyltetrahydrofuran 590.33
    n-hexyl acetate 386.49
    isooctane 21.97
    2-(2-butoxyethoxy)ethanol 587.02
    sec-butyl acetate 287.18
    tert-butyl acetate 358.04
    decalin 33.72
    glycerin 295.85
    diglyme 1104.74
    acrylic acid 524.52
    isopropyl myristate 150.11
    n-butyric acid 475.45
    acetyl acetate 458.75
    di(2-ethylhexyl) phthalate 131.43
    ethyl propionate 438.2
    nitromethane 2359.4
    1,2-diethoxyethane 593.3
    benzonitrile 456.39
    trioctyl phosphate 103.49
    1-bromopropane 335.81
    gamma-valerolactone 1142.13
    n-decanol 127.12
    triethyl phosphate 158.26
    4-methyl-2-pentanol 161.41
    propionitrile 504.99
    vinylene carbonate 532.65
    1,1,2-trichlorotrifluoroethane 807.1
    DMS 398.11
    cumene 85.33
    2-octanol 113.27
    2-hexanone 466.07
    octyl acetate 195.72
    limonene 146.24
    1,2-dimethoxyethane 1056.92
    ethyl orthosilicate 142.19
    tributyl phosphate 146.16
    diacetone alcohol 474.67
    N,N-dimethylaniline 266.44
    acrylonitrile 791.81
    aniline 275.47
    1,3-propanediol 428.58
    bromobenzene 303.61
    dibromomethane 568.21
    1,1,2,2-tetrachloroethane 832.94
    2-methyl-cyclohexyl acetate 213.53
    tetrabutyl urea 220.86
    diisobutyl methanol 107.23
    2-phenylethanol 254.64
    styrene 179.1
    dioctyl adipate 223.81
    dimethyl sulfate 663.68
    ethyl butyrate 328.64
    methyl lactate 381.75
    butyl lactate 223.76
    diethyl carbonate 235.89
    propanediol butyl ether 382.25
    triethyl orthoformate 212.9
    p-tert-butyltoluene 86.05
    methyl 4-tert-butylbenzoate 285.63
    morpholine 786.45
    tert-butylamine 233.92
    n-dodecanol 102.12
    dimethoxymethane 949.27
    ethylene carbonate 401.22
    cyrene 367.44
    2-ethoxyethyl acetate 411.07
    2-ethylhexyl acetate 257.18
    1,2,4-trichlorobenzene 377.24
    4-methylpyridine 632.53
    dibutyl ether 258.23
    2,6-dimethyl-4-heptanol 107.23
    DEF 976.87
    dimethyl isosorbide 579.1
    tetrachloroethylene 571.54
    eugenol 323.92
    triacetin 409.09
    span 80 294.81
    1,4-butanediol 240.19
    1,1-dichloroethane 563.17
    2-methyl-1-pentanol 256.21
    methyl formate 966.02
    2-methyl-1-butanol 291.93
    n-decane 31.0
    butyronitrile 419.92
    3,7-dimethyl-1-octanol 190.93
    1-chlorooctane 120.55
    1-chlorotetradecane 55.61
    n-nonane 29.66
    undecane 25.03
    tert-butylcyclohexane 28.78
    cyclooctane 22.39
    cyclopentanol 297.37
    tetrahydropyran 472.28
    tert-amyl methyl ether 341.71
    2,5,8-trioxanonane 741.34
    1-hexene 126.11
    2-isopropoxyethanol 427.11
    2,2,2-trifluoroethanol 351.7
    methyl butyrate 559.99

    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