1-Chloro-1-nitropropane

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  • Identifiers

    CAS number
    600-25-9

    Molecular formula
    C3H6ClNO2

    SMILES
    CCC([N+](=O)[O-])Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.86%
    Fruity 34.02%
    Buttery 33.23%
    Sweet 32.36%
    Milky 23.56%
    Caramellic 21.98%
    Creamy 21.88%
    Cheesy 20.45%
    Fatty 20.43%
    Nutty 20.31%

     

    Flavor
    Odorless 55.0%
    Mild 27.2%
    Bland 24.52%
    Bitter 23.16%
    Sweet-like 20.58%
    Nitrile 19.29%
    Yeast 19.25%
    Bloody 18.68%
    Mousy 18.64%
    Matches 18.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.08 (neutral)

    Molecular weight
    123.54 g/mol

    Boiling point

    • 286 to 289 °F at 760 mmHg (NTP, 1992)
    • 142 °C
    • 289 °F

    Flash point

    • 41.76 ˚C est.
    • 144 °F (NTP, 1992)
    • 62 °C (144 °F) (OPEN CUP)
    • 62 °C o.c.
    • 144 °F (open cup)
    • (oc) 144 °F

    Solubility expt.

    • 1 to 5 mg/mL at 72 °F (NTP, 1992)
    • Water solubility = 8000 mg/L
    • SOL IN GLYCOLS, OILS
    • SOL IN ETHANOL, ETHER; SL SOL IN CHLOROFORM
    • Solubility in water, g/100ml at 20 °C: 0.8
    • 0.5%

  • Synonyms

    • 1-CHLORO-1-NITROPROPANE
    • 600-25-9
    • Propane, 1-chloro-1-nitro-
    • CCRIS 5997
    • HSDB 1543
    • NSC 8409
    • EINECS 209-990-0
    • UNII-0384A8E8EX
    • BRN 1748601
    • DTXSID2024797
    • AI3-15634
    • 0384A8E8EX
    • NSC-8409
    • DTXCID304797
    • CHLORONITROPROPANE [HSDB]
    • 4-01-00-00232 (Beilstein Handbook Reference)
    • Propane, 1chloro1nitro
    • WLN: WNYG2
    • 1-chloro-1-nitro-propane
    • SCHEMBL1236221
    • CHEMBL1472040
    • NSC8409
    • XEKUXTMJEFPWCG-UHFFFAOYSA-N
    • Tox21_200337
    • AKOS006344261
    • 1-Chloro-1-nitropropane (ACGIH:OSHA)
    • NCGC00091869-01
    • NCGC00091869-02
    • NCGC00257891-01
    • CAS-600-25-9
    • DB-053515
    • NS00034284
    • Q20972156
    • 209-990-0

  • Applications

    1-Chloro-1-nitropropane (CAS 600-25-9) is primarily used as an organic synthesis intermediate in industrial manufacturing, where it is used to prepare nitroalkane derivatives and chlorinated compounds for downstream transformations. It is commonly regarded as a building block for agrochemical and pharmaceutical intermediates, and is used in the synthesis of specialty monomers for polymers and plastics. In addition, it may be used in the production of surface-modifying agents and functional components for coatings, inks, or adhesives, depending on formulation conditions. The presence of the chloro and nitro functionalities enables a range of downstream transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.89
    methanol 205.52
    isopropanol 101.23
    water 14.51
    ethyl acetate 579.64
    n-propanol 116.64
    acetone 1034.86
    n-butanol 110.1
    acetonitrile 983.16
    DMF 1326.76
    toluene 224.54
    isobutanol 95.9
    1,4-dioxane 470.62
    methyl acetate 732.17
    THF 416.23
    2-butanone 654.85
    n-pentanol 122.72
    sec-butanol 124.68
    n-hexane 27.19
    ethylene glycol 106.17
    NMP 2038.75
    cyclohexane 57.73
    DMSO 1424.31
    n-butyl acetate 362.88
    n-octanol 116.01
    chloroform 1134.13
    n-propyl acetate 386.92
    acetic acid 1181.78
    dichloromethane 1358.97
    cyclohexanone 991.41
    propylene glycol 90.22
    isopropyl acetate 276.87
    DMAc 1236.34
    2-ethoxyethanol 295.15
    isopentanol 110.02
    n-heptane 22.64
    ethyl formate 457.34
    1,2-dichloroethane 931.61
    n-hexanol 114.96
    2-methoxyethanol 388.58
    isobutyl acetate 147.85
    tetrachloromethane 150.39
    n-pentyl acetate 278.78
    transcutol 1324.25
    n-heptanol 71.52
    ethylbenzene 172.35
    MIBK 220.0
    2-propoxyethanol 246.9
    tert-butanol 143.98
    MTBE 159.42
    2-butoxyethanol 166.6
    propionic acid 451.72
    o-xylene 241.65
    formic acid 585.14
    diethyl ether 177.87
    m-xylene 175.28
    p-xylene 277.51
    chlorobenzene 645.87
    dimethyl carbonate 286.43
    n-octane 14.94
    formamide 889.57
    cyclopentanone 957.48
    2-pentanone 455.36
    anisole 404.44
    cyclopentyl methyl ether 259.67
    gamma-butyrolactone 1256.73
    1-methoxy-2-propanol 273.4
    pyridine 897.24
    3-pentanone 470.64
    furfural 1716.33
    n-dodecane 15.44
    diethylene glycol 275.14
    diisopropyl ether 69.84
    tert-amyl alcohol 155.93
    acetylacetone 901.63
    n-hexadecane 17.75
    acetophenone 697.68
    methyl propionate 516.37
    isopentyl acetate 270.16
    trichloroethylene 2520.61
    n-nonanol 103.59
    cyclohexanol 206.55
    benzyl alcohol 328.76
    2-ethylhexanol 103.14
    isooctanol 64.35
    dipropyl ether 108.54
    1,2-dichlorobenzene 798.75
    ethyl lactate 203.42
    propylene carbonate 731.14
    n-methylformamide 727.61
    2-pentanol 99.82
    n-pentane 23.34
    1-propoxy-2-propanol 188.69
    1-methoxy-2-propyl acetate 341.86
    2-(2-methoxypropoxy) propanol 319.04
    mesitylene 125.63
    ε-caprolactone 875.78
    p-cymene 113.21
    epichlorohydrin 1066.97
    1,1,1-trichloroethane 807.68
    2-aminoethanol 121.73
    morpholine-4-carbaldehyde 1373.24
    sulfolane 1865.06
    2,2,4-trimethylpentane 20.98
    2-methyltetrahydrofuran 427.25
    n-hexyl acetate 432.09
    isooctane 13.07
    2-(2-butoxyethoxy)ethanol 365.88
    sec-butyl acetate 216.59
    tert-butyl acetate 283.53
    decalin 41.11
    glycerin 180.15
    diglyme 695.06
    acrylic acid 680.91
    isopropyl myristate 137.93
    n-butyric acid 399.49
    acetyl acetate 585.76
    di(2-ethylhexyl) phthalate 160.34
    ethyl propionate 360.57
    nitromethane 2972.77
    1,2-diethoxyethane 363.78
    benzonitrile 707.86
    trioctyl phosphate 103.99
    1-bromopropane 285.6
    gamma-valerolactone 1354.68
    n-decanol 81.49
    triethyl phosphate 158.24
    4-methyl-2-pentanol 66.12
    propionitrile 341.71
    vinylene carbonate 826.68
    1,1,2-trichlorotrifluoroethane 1008.44
    DMS 538.53
    cumene 119.18
    2-octanol 71.11
    2-hexanone 371.45
    octyl acetate 189.72
    limonene 159.42
    1,2-dimethoxyethane 511.9
    ethyl orthosilicate 125.89
    tributyl phosphate 170.41
    diacetone alcohol 338.49
    N,N-dimethylaniline 305.63
    acrylonitrile 784.54
    aniline 298.02
    1,3-propanediol 157.9
    bromobenzene 631.51
    dibromomethane 702.87
    1,1,2,2-tetrachloroethane 1494.64
    2-methyl-cyclohexyl acetate 226.69
    tetrabutyl urea 242.07
    diisobutyl methanol 67.98
    2-phenylethanol 268.48
    styrene 261.84
    dioctyl adipate 254.75
    dimethyl sulfate 712.28
    ethyl butyrate 279.02
    methyl lactate 286.83
    butyl lactate 214.89
    diethyl carbonate 216.46
    propanediol butyl ether 247.75
    triethyl orthoformate 163.33
    p-tert-butyltoluene 99.02
    methyl 4-tert-butylbenzoate 358.4
    morpholine 469.59
    tert-butylamine 83.79
    n-dodecanol 67.13
    dimethoxymethane 389.35
    ethylene carbonate 543.39
    cyrene 371.59
    2-ethoxyethyl acetate 444.65
    2-ethylhexyl acetate 231.33
    1,2,4-trichlorobenzene 972.53
    4-methylpyridine 921.09
    dibutyl ether 156.35
    2,6-dimethyl-4-heptanol 67.98
    DEF 754.73
    dimethyl isosorbide 522.01
    tetrachloroethylene 1032.51
    eugenol 345.76
    triacetin 535.12
    span 80 265.27
    1,4-butanediol 104.42
    1,1-dichloroethane 676.94
    2-methyl-1-pentanol 129.62
    methyl formate 719.6
    2-methyl-1-butanol 112.83
    n-decane 22.58
    butyronitrile 272.59
    3,7-dimethyl-1-octanol 125.57
    1-chlorooctane 102.16
    1-chlorotetradecane 45.87
    n-nonane 21.95
    undecane 18.1
    tert-butylcyclohexane 30.49
    cyclooctane 22.63
    cyclopentanol 215.17
    tetrahydropyran 315.22
    tert-amyl methyl ether 160.14
    2,5,8-trioxanonane 517.13
    1-hexene 95.02
    2-isopropoxyethanol 187.14
    2,2,2-trifluoroethanol 572.64
    methyl butyrate 495.91

    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