Cas no 102-46-5 (3,4-Dimethylbenzyl chloride)

3,4-Dimethylbenzyl chloride (CAS 102-38-5) is a versatile organic intermediate used in the synthesis of fine chemicals, pharmaceuticals, and agrochemicals. This compound features a reactive benzyl chloride group adjacent to two methyl substituents on the aromatic ring, enhancing its utility in nucleophilic substitution and coupling reactions. Its well-defined structure ensures consistent reactivity, making it suitable for applications requiring precise functionalization. The compound is typically supplied as a high-purity liquid or solid, ensuring reliable performance in synthetic workflows. Proper handling is advised due to its lachrymatory and moisture-sensitive nature. Storage under inert conditions is recommended to maintain stability.
3,4-Dimethylbenzyl chloride structure
3,4-Dimethylbenzyl chloride structure
Product Name:3,4-Dimethylbenzyl chloride
CAS No:102-46-5
MF:C9H11Cl
MW:154.636641740799
MDL:MFCD00000910
CID:35184
PubChem ID:87566986
Update Time:2025-11-06

3,4-Dimethylbenzyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-(Chloromethyl)-1,2-dimethylbenzene
    • 3,4-Dimethylbenzyl chloride (contains isomer)
    • 3,4-Dimethylbenzyl chloride
    • 3.4-Dimethylbenzylchloride
    • 1-(Chloromethyl)-3,4-dimethylbenzene (contains isomer)
    • 1,2-Dimethyl-4-chloromethylbenzene
    • 1-(Chloromethyl)-3,4-dimethylbenzene
    • 4-(Chloromethyl)-o-xylene
    • NSC 62669
    • Esperox 570
    • Lupersol 575
    • (contains isoMer)
    • 3,4-Dimethylbenzyl c
    • 4-CHLOROMETHYL-O-XYLENE
    • 3,4-DiMethylbenzyl Chloride 1-CHLOROMETHYL-3,4-DIMETHYLBENZENE
    • AKOS BBS-00003954
    • 3,4-Dimethylbenzyl chloride 70%
    • Benzene, 4-(chloromethyl)-1,2-dimethyl-
    • Benzene, 1-(chloromethyl)-3,4-dimethyl-
    • 4-(Chloromethyl)-1,2-DiMethyl-Benzene
    • UBQRAAXAHIKWRI-UHFFFAOYSA-N
    • 1-chloromethyl-3,4-dimethylbenzene
    • NSC62669
    • PubChem14890
    • 3,4-dimethyl-benzylchloride
    • 3,4-dimethyl benzylchloride
    • 3,4-d
    • 102-46-5
    • SCHEMBL540384
    • D0290
    • A77HY5M734
    • EINECS 203-032-5
    • NSC-62669
    • FT-0614377
    • CS-W022009
    • W-108871
    • DTXSID4059251
    • NS00023148
    • 4-chloromethyl-1,2-dimethyl-benzene
    • A10185
    • 4-(Chloromethyl)-1,2-dimethylbenzene #
    • AM20020094
    • AC-19498
    • AKOS000268719
    • EN300-49222
    • 3,4-dimethyl benzyl chloride
    • A800575
    • 3,4-DIMETHYLBENZYLCHLORIDE
    • 3,4-Dimethylbenzyl chloride - stabilized with Calcium carbonate
    • STK503690
    • DTXCID7032680
    • DB-014217
    • MFCD00000910
    • MDL: MFCD00000910
    • Inchi: 1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
    • InChI Key: UBQRAAXAHIKWRI-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC(C)=C(C)C=1

Computed Properties

  • Exact Mass: 154.05500
  • Monoisotopic Mass: 154.054928
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 101
  • 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
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.056
  • Melting Point: -43.35°C (estimate)
  • Boiling Point: 117°C/24mmHg(lit.)
  • Flash Point: 205 oF
  • Refractive Index: 1.54
  • PSA: 0.00000
  • LogP: 3.04220
  • Solubility: Not determined

3,4-Dimethylbenzyl chloride Security Information

3,4-Dimethylbenzyl chloride Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,4-Dimethylbenzyl chloride Pricemore >>

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3,4-Dimethylbenzyl chloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Carbon tetrachloride Catalysts: Acetonitrile ,  Molybdenum hexacarbonyl ;  1 h, 170 °C
Reference
Synthesis of benzyl chlorides and diarylmethanes via coupled reactions of methylarenes with carbon tetrachloride in the presence of manganese- and molybdenum-containing catalysts
Khusnutdinov, R. I.; et al, Neftekhimiya, 2004, 44(4), 293-300

Production Method 2

Reaction Conditions
1.1 Reagents: Chlorine dioxide Solvents: Water ;  1.75 h, rt
1.2 Reagents: Sodium thiosulfate
Reference
Chlorination and oxidation products formed from 1,2,4-trimethylbenzene in aqueous solution under the action of chlorine dioxide
Khasanova, Z. R.; et al, Russian Journal of Applied Chemistry, 2007, 80(7), 1105-1110

3,4-Dimethylbenzyl chloride Preparation Products

3,4-Dimethylbenzyl chloride Related Literature

Additional information on 3,4-Dimethylbenzyl chloride

3,4-Dimethylbenzyl Chloride (CAS No. 102-46-5): Properties, Applications, and Market Insights

3,4-Dimethylbenzyl chloride (CAS No. 102-46-5) is a versatile organic compound widely used in the chemical industry. This aromatic chloride is a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its molecular formula is C9H11Cl, and it is known for its high reactivity due to the presence of a benzyl chloride group.

The compound is characterized by its colorless to pale yellow liquid appearance and a distinct aromatic odor. With a boiling point of approximately 220-222°C and a melting point of -10°C, 3,4-dimethylbenzyl chloride is soluble in most organic solvents but poorly soluble in water. These properties make it an ideal candidate for various chemical reactions, including alkylation and nucleophilic substitution.

One of the most common applications of 3,4-dimethylbenzyl chloride is in the pharmaceutical industry, where it serves as a building block for drug synthesis. Researchers and manufacturers frequently search for "3,4-dimethylbenzyl chloride uses in medicine" due to its role in producing active pharmaceutical ingredients (APIs). Additionally, it is used in the development of agrochemicals, such as herbicides and pesticides, making it a critical component in modern agriculture.

In recent years, the demand for 3,4-dimethylbenzyl chloride has increased due to its applications in material science. For instance, it is used in the synthesis of polymers and resins, which are essential in coatings, adhesives, and electronic materials. Searches like "3,4-dimethylbenzyl chloride in polymer synthesis" reflect the growing interest in this area.

The global market for 3,4-dimethylbenzyl chloride is expected to grow steadily, driven by advancements in pharmaceutical research and sustainable agriculture. Companies are increasingly focusing on green chemistry and eco-friendly synthesis methods, which align with the rising popularity of searches such as "environmentally friendly production of 3,4-dimethylbenzyl chloride."

For laboratories and industrial users, handling 3,4-dimethylbenzyl chloride requires adherence to safety protocols. Proper storage in cool, dry places away from oxidizing agents is essential to maintain its stability. Questions like "how to store 3,4-dimethylbenzyl chloride safely" are common among professionals working with this compound.

In conclusion, 3,4-dimethylbenzyl chloride (CAS No. 102-46-5) is a valuable chemical intermediate with diverse applications across multiple industries. Its role in pharmaceuticals, agrochemicals, and material science underscores its importance in modern chemistry. As research continues to explore new uses, the compound remains a focal point for innovation and industrial growth.

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