Nitromethane

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  • Identifiers

    CAS number
    75-52-5

    Molecular formula
    CH3NO2

    SMILES
    C[N+](=O)[O-]

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.43%
    Sweet 39.34%
    Sharp 36.17%
    Sour 35.9%
    Caramellic 35.68%
    Pungent 34.43%
    Buttery 30.38%
    Ethereal 30.02%
    Fruity 25.82%
    Burnt 25.76%

     

    Flavor
    Odorless 57.36%
    Sour 33.92%
    Acidic 24.31%
    Pungent 23.99%
    Mousy 22.94%
    Vinegar 22.23%
    Formyl 21.94%
    Bland 21.12%
    Soy 20.8%
    Sharp 20.28%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 3.5 [mmHg]. Odor Threshold High: 100.0 [mmHg]. Odor threshold from CHEMINFO
    • The human odor threshold for nitromethane is 3.5 ppm.

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.97 (neutral)

    Molecular weight
    61.04 g/mol

    Melting point expt.

    • -20 °F (NTP, 1992)
    • -28.7 °C
    • -29 °C
    • -20 °F

    Boiling point

    • 214.2 °F at 760 mmHg (NTP, 1992)
    • 101.1 °C
    • 101 °C
    • 214 °F

    Flash point

    • 16.05 ˚C est.
    • 95 °F (NTP, 1992)
    • 95-96 °F
    • 95 °F (35 °C) (Closed Cup)
    • 36 °C (97 °F) (Closed cup)
    • 35 °C c.c.
    • 95 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • Solubility of water in nitromethane: 2.1% at 25 °C
    • In water, 1.11X10+5 mg/L at 25 °C
    • Soluble in ethanol, ethyl ether, acetone, carbon tetrachloride, and alkali
    • 10%

  • Synonyms

    • NITROMETHANE
    • 75-52-5
    • Methane, nitro-
    • Nitrocarbol
    • Nitrometan
    • CH3NO2
    • NSC 428
    • NITROMETHANE (15N)
    • MeNO2
    • CCRIS 1205
    • HSDB 106
    • nitro methane
    • nitro-methane
    • UNII-RU5WG8C3F4
    • EINECS 200-876-6
    • RU5WG8C3F4
    • 23717-53-5
    • DTXSID2020977
    • CHEBI:77701
    • AI3-00111
    • NSC-428
    • DTXCID40977
    • NSC428
    • EC 200-876-6
    • NITROMETHANE (IARC)
    • NITROMETHANE [IARC]
    • NITROMETHANE (USP-RS)
    • NITROMETHANE [USP-RS]
    • Nitrometan [Polish]
    • MFCD00007400
    • UN1261
    • nitrometane
    • Methane, nitro-,ion(1-) (8CI,9CI)
    • nitro- methane
    • Nitromethane, ACS
    • Nitro fuel (Salt/Mix)
    • Nitromethane, 99.0%
    • NITROMETHANE [MI]
    • Nitromethane, HPLC grade
    • Nitromethane [UN1261] [Flammable liquid]
    • CH2NO2
    • NO2CH3
    • NITROMETHANE [HSDB]
    • WLN: WN1
    • CHEMBL276924
    • Nitromethane, analytical standard
    • Nitromethane, reagent grade, 96%
    • Nitromethane, for HPLC, >=96%
    • NAA03132
    • Tox21_200822
    • BR1297
    • Nitromethane, ACS reagent, >=95%
    • STL185630
    • AKOS009031372
    • UN 1261
    • CAS-75-52-5
    • NCGC00091494-01
    • NCGC00091494-02
    • NCGC00258376-01
    • InChI=1/CH3NO2/c1-2(3)4/h1H
    • Nitromethane, ReagentPlus(R), >=99.0%
    • Nitromethane, SAJ first grade, >=90.0%
    • N0019
    • N0209
    • N0239
    • NS00001985
    • C19275
    • A838443
    • Q407733
    • F1908-0092
    • Nitromethane, puriss., absolute, over molecular sieve (H2O <=0.01%), >=98.5% (GC)
    • 200-876-6
    • NMT(Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-109)

  • Applications

    Nitromethane (CAS 75-52-5) is widely used as a versatile solvent and reaction medium in industrial manufacturing, notably in coatings, inks, and specialized cleaning formulations. It also serves as a key building block and intermediate in organic synthesis, enabling the formation of nitroalkanes that are subsequently reduced to amines for pharmaceutical and agrochemical syntheses. In addition, nitromethane is a precursor to nitro compounds used in polymers and plastics and other specialty chemicals. Due to its high energy content, it is used as a fuel or fuel additive for high-performance engines in motorsport and model aircraft.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.29
    methanol 122.27
    isopropanol 40.07
    water 118.82
    ethyl acetate 87.96
    n-propanol 33.82
    acetone 215.46
    n-butanol 26.39
    acetonitrile 210.39
    DMF 533.2
    toluene 43.89
    isobutanol 26.5
    1,4-dioxane 141.77
    methyl acetate 149.43
    THF 102.02
    2-butanone 100.12
    n-pentanol 17.17
    sec-butanol 27.86
    n-hexane 6.67
    ethylene glycol 55.27
    NMP 557.41
    cyclohexane 7.3
    DMSO 310.13
    n-butyl acetate 26.51
    n-octanol 15.74
    chloroform 91.36
    n-propyl acetate 38.82
    acetic acid 144.51
    dichloromethane 144.12
    cyclohexanone 107.32
    propylene glycol 35.64
    isopropyl acetate 43.23
    DMAc 582.93
    2-ethoxyethanol 69.01
    isopentanol 22.47
    n-heptane 3.69
    ethyl formate 105.45
    1,2-dichloroethane 97.99
    n-hexanol 11.68
    2-methoxyethanol 153.91
    isobutyl acetate 20.78
    tetrachloromethane 19.13
    n-pentyl acetate 19.78
    transcutol 133.68
    n-heptanol 7.54
    ethylbenzene 24.45
    MIBK 36.42
    2-propoxyethanol 44.04
    tert-butanol 46.77
    MTBE 44.58
    2-butoxyethanol 23.32
    propionic acid 75.3
    o-xylene 48.35
    formic acid 169.84
    diethyl ether 46.63
    m-xylene 33.57
    p-xylene 38.41
    chlorobenzene 57.92
    dimethyl carbonate 103.97
    n-octane 2.34
    formamide 239.79
    cyclopentanone 140.74
    2-pentanone 60.74
    anisole 72.96
    cyclopentyl methyl ether 54.69
    gamma-butyrolactone 225.66
    1-methoxy-2-propanol 84.75
    pyridine 125.97
    3-pentanone 70.76
    furfural 301.27
    n-dodecane 3.12
    diethylene glycol 63.57
    diisopropyl ether 14.99
    tert-amyl alcohol 36.8
    acetylacetone 130.62
    n-hexadecane 3.42
    acetophenone 86.07
    methyl propionate 101.13
    isopentyl acetate 22.82
    trichloroethylene 166.61
    n-nonanol 14.5
    cyclohexanol 30.75
    benzyl alcohol 48.98
    2-ethylhexanol 10.47
    isooctanol 7.15
    dipropyl ether 18.1
    1,2-dichlorobenzene 66.58
    ethyl lactate 35.72
    propylene carbonate 113.11
    n-methylformamide 234.3
    2-pentanol 16.91
    n-pentane 5.89
    1-propoxy-2-propanol 27.6
    1-methoxy-2-propyl acetate 45.57
    2-(2-methoxypropoxy) propanol 58.31
    mesitylene 21.86
    ε-caprolactone 104.66
    p-cymene 14.61
    epichlorohydrin 160.66
    1,1,1-trichloroethane 66.57
    2-aminoethanol 55.5
    morpholine-4-carbaldehyde 374.09
    sulfolane 240.01
    2,2,4-trimethylpentane 4.7
    2-methyltetrahydrofuran 73.48
    n-hexyl acetate 33.65
    isooctane 2.44
    2-(2-butoxyethoxy)ethanol 49.81
    sec-butyl acetate 24.88
    tert-butyl acetate 42.41
    decalin 6.73
    glycerin 73.24
    diglyme 108.21
    acrylic acid 104.79
    isopropyl myristate 17.28
    n-butyric acid 51.81
    acetyl acetate 88.04
    di(2-ethylhexyl) phthalate 24.9
    ethyl propionate 55.62
    nitromethane 501.65
    1,2-diethoxyethane 40.6
    benzonitrile 82.59
    trioctyl phosphate 13.49
    1-bromopropane 36.57
    gamma-valerolactone 255.23
    n-decanol 11.75
    triethyl phosphate 27.09
    4-methyl-2-pentanol 11.86
    propionitrile 73.97
    vinylene carbonate 137.49
    1,1,2-trichlorotrifluoroethane 136.97
    DMS 76.05
    cumene 19.46
    2-octanol 7.06
    2-hexanone 35.67
    octyl acetate 22.32
    limonene 18.4
    1,2-dimethoxyethane 154.81
    ethyl orthosilicate 22.77
    tributyl phosphate 19.96
    diacetone alcohol 52.39
    N,N-dimethylaniline 68.78
    acrylonitrile 142.99
    aniline 62.79
    1,3-propanediol 56.21
    bromobenzene 50.88
    dibromomethane 71.32
    1,1,2,2-tetrachloroethane 100.97
    2-methyl-cyclohexyl acetate 25.79
    tetrabutyl urea 37.07
    diisobutyl methanol 9.43
    2-phenylethanol 27.36
    styrene 32.22
    dioctyl adipate 31.99
    dimethyl sulfate 212.07
    ethyl butyrate 31.43
    methyl lactate 77.5
    butyl lactate 20.88
    diethyl carbonate 31.09
    propanediol butyl ether 32.21
    triethyl orthoformate 24.68
    p-tert-butyltoluene 14.06
    methyl 4-tert-butylbenzoate 53.42
    morpholine 124.76
    tert-butylamine 27.78
    n-dodecanol 10.26
    dimethoxymethane 172.36
    ethylene carbonate 93.93
    cyrene 74.1
    2-ethoxyethyl acetate 39.42
    2-ethylhexyl acetate 19.66
    1,2,4-trichlorobenzene 84.96
    4-methylpyridine 153.01
    dibutyl ether 20.11
    2,6-dimethyl-4-heptanol 9.43
    DEF 143.93
    dimethyl isosorbide 84.26
    tetrachloroethylene 76.14
    eugenol 47.45
    triacetin 73.71
    span 80 33.44
    1,4-butanediol 24.47
    1,1-dichloroethane 74.61
    2-methyl-1-pentanol 16.92
    methyl formate 235.3
    2-methyl-1-butanol 22.91
    n-decane 4.12
    butyronitrile 51.49
    3,7-dimethyl-1-octanol 17.7
    1-chlorooctane 12.0
    1-chlorotetradecane 7.52
    n-nonane 3.88
    undecane 3.5
    tert-butylcyclohexane 5.9
    cyclooctane 3.4
    cyclopentanol 35.34
    tetrahydropyran 54.2
    tert-amyl methyl ether 40.05
    2,5,8-trioxanonane 93.57
    1-hexene 15.1
    2-isopropoxyethanol 37.24
    2,2,2-trifluoroethanol 107.46
    methyl butyrate 66.5

    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