2,4-Dichlorobenzaldehyde

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  • Identifiers

    CAS number
    874-42-0

    Molecular formula
    C7H4Cl2O

    SMILES
    C1=CC(=C(C=C1Cl)Cl)C=O

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 51.43%
    Floral 41.79%
    Bitter 38.15%
    Phenolic 37.01%
    Powdery 33.02%
    Almond 32.26%
    Vanilla 29.73%
    Fruity 28.98%
    Spicy 27.44%
    Honey 26.65%

     

    Flavor
    Bitter 58.05%
    Odorless 31.06%
    Mild 30.18%
    Phenolic 22.54%
    Nitrile 21.85%
    Orange flower 20.89%
    Very strong 20.85%
    Bread crust 20.5%
    Almond shell 20.46%
    Indole 20.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.89 (weak acid)

    Molecular weight
    175.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 156 to 163 °F (NTP, 1992)

    Boiling point

    • 451 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 103.11 ˚C est.
    • 275 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)

  • Synonyms

    • 2,4-DICHLOROBENZALDEHYDE
    • 874-42-0
    • Benzaldehyde, 2,4-dichloro-
    • CCRIS 6013
    • NSC 8762
    • EINECS 212-861-1
    • MFCD00003305
    • UNII-Z08QL2124R
    • DTXSID1022130
    • AI3-16063
    • Z08QL2124R
    • NSC-8762
    • 2,4-dichloro-benzaldehyde
    • DTXCID302130
    • O,P-DICHLOROBENZALDEHYDE
    • DICHLOROBENZALDEHYDE, 2,4-
    • 2,4-DICHLOROPHENYLCARBOXALDEHYDE
    • NSC8762
    • 2,4-Dichlorobenzaldehyde; 2,4-Dichlorophenylcarboxaldehyde; NSC 8762; o,p-Dichlorobenzaldehyde
    • 2,4 dichloro benzaldehyde
    • 2,4-di-chlorobenzaldehyde
    • SCHEMBL95435
    • 2,4-bis(chloranyl)benzaldehyde
    • CHEMBL1531235
    • 2,4-Dichlorobenzaldehyde, 99%
    • (2,4-dichloro-phenyl)-methanone
    • (2,4-dichlorophenyl)formaldehyde
    • Tox21_201217
    • STK299308
    • AKOS000118972
    • CS-W017473
    • FD02865
    • PS-6004
    • NCGC00091704-01
    • NCGC00091704-02
    • NCGC00258769-01
    • AC-11246
    • CAS-874-42-0
    • DB-076953
    • D0330
    • NS00019855
    • EN300-18374
    • D71088
    • A842216
    • AH-034/32850055
    • Q27294829
    • Z57127525
    • F2190-0604
    • 212-861-1

  • Applications

    2,4-Dichlorobenzaldehyde (CAS 874-42-0) is primarily used as a versatile intermediate in organic synthesis across several industrial sectors. It serves as a building block for agrochemicals and pharmaceutical intermediates, and is employed in the production of dyes and pigments, as a precursor in fragrance and odorant formulations, and as a starting material for coatings and inks as well as for specialty polymers, with other applications in broader specialty chemical syntheses in industrial manufacturing, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.93
    methanol 41.55
    isopropanol 38.99
    water 0.33
    ethyl acetate 141.18
    n-propanol 51.08
    acetone 255.88
    n-butanol 45.44
    acetonitrile 130.85
    DMF 285.93
    toluene 100.33
    isobutanol 39.27
    1,4-dioxane 180.67
    methyl acetate 227.32
    THF 305.44
    2-butanone 251.51
    n-pentanol 56.33
    sec-butanol 58.5
    n-hexane 8.64
    ethylene glycol 23.64
    NMP 251.65
    cyclohexane 10.13
    DMSO 158.68
    n-butyl acetate 146.75
    n-octanol 53.93
    chloroform 313.49
    n-propyl acetate 162.2
    acetic acid 97.57
    dichloromethane 322.98
    cyclohexanone 204.42
    propylene glycol 28.69
    isopropyl acetate 103.15
    DMAc 323.89
    2-ethoxyethanol 126.96
    isopentanol 51.73
    n-heptane 16.49
    ethyl formate 109.22
    1,2-dichloroethane 212.64
    n-hexanol 64.66
    2-methoxyethanol 136.76
    isobutyl acetate 100.06
    tetrachloromethane 55.51
    n-pentyl acetate 95.52
    transcutol 562.32
    n-heptanol 47.79
    ethylbenzene 76.24
    MIBK 116.15
    2-propoxyethanol 137.48
    tert-butanol 70.64
    MTBE 103.86
    2-butoxyethanol 105.7
    propionic acid 80.48
    o-xylene 82.87
    formic acid 43.12
    diethyl ether 87.15
    m-xylene 73.76
    p-xylene 111.11
    chlorobenzene 120.71
    dimethyl carbonate 97.98
    n-octane 8.35
    formamide 107.98
    cyclopentanone 265.42
    2-pentanone 152.51
    anisole 198.51
    cyclopentyl methyl ether 123.76
    gamma-butyrolactone 257.61
    1-methoxy-2-propanol 104.65
    pyridine 261.48
    3-pentanone 140.38
    furfural 334.5
    n-dodecane 8.43
    diethylene glycol 109.46
    diisopropyl ether 43.66
    tert-amyl alcohol 83.09
    acetylacetone 238.6
    n-hexadecane 9.54
    acetophenone 195.38
    methyl propionate 130.62
    isopentyl acetate 128.7
    trichloroethylene 543.9
    n-nonanol 50.73
    cyclohexanol 57.5
    benzyl alcohol 121.98
    2-ethylhexanol 61.1
    isooctanol 48.06
    dipropyl ether 81.84
    1,2-dichlorobenzene 121.18
    ethyl lactate 81.81
    propylene carbonate 159.43
    n-methylformamide 129.1
    2-pentanol 44.45
    n-pentane 7.0
    1-propoxy-2-propanol 110.81
    1-methoxy-2-propyl acetate 158.23
    2-(2-methoxypropoxy) propanol 154.88
    mesitylene 50.63
    ε-caprolactone 177.96
    p-cymene 59.8
    epichlorohydrin 336.78
    1,1,1-trichloroethane 251.81
    2-aminoethanol 39.47
    morpholine-4-carbaldehyde 265.21
    sulfolane 258.16
    2,2,4-trimethylpentane 9.68
    2-methyltetrahydrofuran 202.16
    n-hexyl acetate 123.98
    isooctane 8.33
    2-(2-butoxyethoxy)ethanol 175.94
    sec-butyl acetate 114.71
    tert-butyl acetate 147.17
    decalin 14.12
    glycerin 50.14
    diglyme 364.02
    acrylic acid 95.74
    isopropyl myristate 64.66
    n-butyric acid 78.72
    acetyl acetate 115.96
    di(2-ethylhexyl) phthalate 59.52
    ethyl propionate 126.64
    nitromethane 305.46
    1,2-diethoxyethane 176.36
    benzonitrile 148.82
    trioctyl phosphate 43.98
    1-bromopropane 96.8
    gamma-valerolactone 313.66
    n-decanol 41.31
    triethyl phosphate 74.29
    4-methyl-2-pentanol 42.29
    propionitrile 96.24
    vinylene carbonate 161.63
    1,1,2-trichlorotrifluoroethane 272.28
    DMS 138.4
    cumene 54.11
    2-octanol 40.5
    2-hexanone 174.98
    octyl acetate 72.44
    limonene 74.47
    1,2-dimethoxyethane 279.66
    ethyl orthosilicate 68.65
    tributyl phosphate 57.35
    diacetone alcohol 159.89
    N,N-dimethylaniline 135.57
    acrylonitrile 153.18
    aniline 104.21
    1,3-propanediol 49.0
    bromobenzene 123.69
    dibromomethane 179.21
    1,1,2,2-tetrachloroethane 307.38
    2-methyl-cyclohexyl acetate 108.56
    tetrabutyl urea 82.83
    diisobutyl methanol 49.29
    2-phenylethanol 116.92
    styrene 96.16
    dioctyl adipate 93.1
    dimethyl sulfate 149.82
    ethyl butyrate 124.86
    methyl lactate 81.21
    butyl lactate 82.99
    diethyl carbonate 94.29
    propanediol butyl ether 111.14
    triethyl orthoformate 94.09
    p-tert-butyltoluene 57.07
    methyl 4-tert-butylbenzoate 142.33
    morpholine 181.98
    tert-butylamine 45.86
    n-dodecanol 34.61
    dimethoxymethane 170.11
    ethylene carbonate 106.3
    cyrene 169.97
    2-ethoxyethyl acetate 156.96
    2-ethylhexyl acetate 109.98
    1,2,4-trichlorobenzene 161.49
    4-methylpyridine 227.14
    dibutyl ether 80.33
    2,6-dimethyl-4-heptanol 49.29
    DEF 162.83
    dimethyl isosorbide 269.42
    tetrachloroethylene 219.94
    eugenol 145.7
    triacetin 174.81
    span 80 114.87
    1,4-butanediol 33.7
    1,1-dichloroethane 200.48
    2-methyl-1-pentanol 63.55
    methyl formate 147.16
    2-methyl-1-butanol 49.61
    n-decane 12.14
    butyronitrile 79.33
    3,7-dimethyl-1-octanol 60.72
    1-chlorooctane 46.29
    1-chlorotetradecane 23.58
    n-nonane 10.98
    undecane 9.92
    tert-butylcyclohexane 15.01
    cyclooctane 5.27
    cyclopentanol 68.71
    tetrahydropyran 144.02
    tert-amyl methyl ether 97.44
    2,5,8-trioxanonane 264.61
    1-hexene 42.2
    2-isopropoxyethanol 107.38
    2,2,2-trifluoroethanol 71.14
    methyl butyrate 163.79

    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