Cas no 40870-59-5 (4-Methyl-3-nitrobenzyl alcohol)

4-Methyl-3-nitrobenzyl alcohol (CAS 3446-89-7) is a nitro-substituted benzyl alcohol derivative with the molecular formula C?H?NO?. This compound is characterized by the presence of a methyl group at the 4-position and a nitro group at the 3-position of the benzyl alcohol framework. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro and hydroxyl functional groups offer reactivity for further derivatization, such as reduction or condensation reactions. Its well-defined structure and purity make it suitable for research and industrial applications requiring precise functional group manipulation. Proper handling is advised due to potential sensitivity to light and heat.
4-Methyl-3-nitrobenzyl alcohol structure
40870-59-5 structure
Product Name:4-Methyl-3-nitrobenzyl alcohol
CAS No:40870-59-5
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD00007177
CID:333723
PubChem ID:123497
Update Time:2025-06-08

4-Methyl-3-nitrobenzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,4-methyl-3-nitro-
    • 4-Methyl-3-nitrobenzyl Alcohol
    • 3-NITRO-4-METHYLBENZYL ALCOHOL
    • 3-Nitro-11-oxy-1.4-dimethyl-benzol
    • 4-methyl-3-nitro-benzyl alcohol
    • 4-Methyl-3-nitro-benzylalkohol
    • Benzenemethanol,4-methyl-3-nitro
    • RARECHEM AL BD 0233
    • (4-Methyl-3-nitrophenyl)methanol
    • URCWIFSXDARYLY-UHFFFAOYSA-N
    • Benzenemethanol, 4-methyl-3-nitro-
    • 4-Methyl-3-nitro benzylalcohol
    • (4-Methyl-3-nitro-phenyl)-methanol
    • (4-Methyl-3-nitrophenyl)methanol #
    • V5827
    • M2916
    • InChI=1
    • 4-Methyl-3-nitrobenzenemethanol
    • SY157732
    • H263GGH7NZ
    • AKOS009158782
    • NS00030862
    • SCHEMBL715634
    • InChI=1/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H
    • AKOS015913702
    • EN300-156563
    • 40870-59-5
    • Benzyl alcohol, 4-methyl-3-nitro-
    • 4-Methyl-3-nitrobenzyl alcohol, 99%
    • DTXSID80193843
    • EINECS 255-120-8
    • CS-0061176
    • 2-([(4-BROMOPHENYL)SULFONYL]AMINO)ACETICACID
    • s10877
    • AS-60807
    • AMY28198
    • FT-0639677
    • MFCD00007177
    • DB-049673
    • 4-Methyl-3-nitrobenzyl alcohol
    • MDL: MFCD00007177
    • Inchi: 1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
    • InChI Key: URCWIFSXDARYLY-UHFFFAOYSA-N
    • SMILES: OCC1C=CC(C)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 167.05800
  • Monoisotopic Mass: 167.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 66

Experimental Properties

  • Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 41.0 to 45.0 deg-C
  • Boiling Point: 195°C/20mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.585
  • Solubility: Slightly soluble (3.3 g/l) (25 o C),
  • PSA: 66.05000
  • LogP: 1.91870

4-Methyl-3-nitrobenzyl alcohol Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

4-Methyl-3-nitrobenzyl alcohol Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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4-Methyl-3-nitrobenzyl alcohol Production Method

Additional information on 4-Methyl-3-nitrobenzyl alcohol

4-Methyl-3-nitrobenzyl Alcohol (CAS No. 40870-59-5): An Overview and Recent Advances

4-Methyl-3-nitrobenzyl alcohol (CAS No. 40870-59-5) is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound, characterized by its unique structure and properties, has garnered significant attention in recent years due to its potential in various research and industrial settings.

The chemical structure of 4-methyl-3-nitrobenzyl alcohol consists of a benzene ring substituted with a methyl group at the 4-position and a nitro group at the 3-position, with a hydroxymethyl group attached to the benzene ring. This arrangement imparts specific chemical and physical properties that make it valuable for various applications.

In terms of physical properties, 4-methyl-3-nitrobenzyl alcohol is a colorless to pale yellow liquid with a characteristic odor. It is soluble in many organic solvents but has limited solubility in water. The compound has a molecular weight of approximately 177.16 g/mol and a melting point of around -25°C, making it suitable for use in a variety of experimental conditions.

The synthesis of 4-methyl-3-nitrobenzyl alcohol can be achieved through several methods, including the reduction of 4-methyl-3-nitrobenzaldehyde or the alkylation of 3-nitro-4-methylphenol. These synthetic routes have been optimized to improve yield and purity, making the compound more accessible for research and industrial purposes.

One of the key areas where 4-methyl-3-nitrobenzyl alcohol has shown promise is in the field of medicinal chemistry. Recent studies have explored its potential as an intermediate in the synthesis of novel pharmaceuticals. For instance, researchers have utilized this compound as a building block in the development of anti-inflammatory agents and anticancer drugs. The presence of the nitro group and the hydroxymethyl functionality provides multiple points for functionalization, allowing for the creation of diverse chemical structures with tailored biological activities.

In addition to its role in drug discovery, 4-methyl-3-nitrobenzyl alcohol has also been investigated for its use in chemical biology. Its ability to undergo selective chemical reactions makes it an attractive candidate for labeling and imaging applications. For example, it can be used to modify proteins or nucleic acids, enabling researchers to study their interactions and functions in living cells.

The environmental impact of 4-methyl-3-nitrobenzyl alcohol is another important consideration. While it is not classified as a hazardous substance, proper handling and disposal practices are essential to ensure environmental safety. Researchers are continuously working on developing more sustainable synthetic methods to reduce the ecological footprint associated with its production.

In conclusion, 4-methyl-3-nitrobenzyl alcohol (CAS No. 40870-59-5) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique chemical structure and properties make it an invaluable tool for researchers working in fields such as medicinal chemistry, chemical biology, and materials science. As ongoing research continues to uncover new uses and improvements in synthesis methods, the importance of this compound is likely to grow even further.

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