Cas no 60468-54-4 (2-Methyl-3-nitrobenzyl chloride)

2-Methyl-3-nitrobenzyl chloride (CAS: [insert if known]) is a nitro-substituted benzyl chloride derivative used primarily as an intermediate in organic synthesis. Its key functional groups—the reactive benzyl chloride moiety and electron-withdrawing nitro group—make it valuable for nucleophilic substitution reactions and further functionalization. The methyl group at the 2-position influences steric and electronic properties, enhancing selectivity in certain transformations. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex aromatic frameworks. It should be handled with care due to its lachrymatory and irritant properties. Typical purity ranges from 95-98%, with variations available upon request. Store under inert conditions to minimize hydrolysis.
2-Methyl-3-nitrobenzyl chloride structure
60468-54-4 structure
Product Name:2-Methyl-3-nitrobenzyl chloride
CAS No:60468-54-4
MF:C8H8ClNO2
MW:185.607621192932
MDL:MFCD00007165
CID:57557
PubChem ID:87559047
Update Time:2025-05-27

2-Methyl-3-nitrobenzyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3-nitrobenzyl chloride
    • 1-Chloromethyl-2-methyl-3-nitrobenzene
    • a1-Chloro-3-nitro-o-xylene
    • a-Chloro-2-methyl-3-nitrotoluene
    • 2-(Chloromethyl)-6-nitrotoluene
    • 1-(chloromethyl)-2-methyl-3-nitrobenzene
    • 1-Chloromethyl-2-methyl-3-nitro-benzene
    • Benzene, 1-(chloromethyl)-2-methyl-3-nitro-
    • alpha-Chloro-2-methyl-3-nitrotoluene
    • 2-methyl-3-nitrobenzylchloride
    • 1-(chloromethyl)-2-methyl-3-nitro-benzene
    • KSC497O8T
    • XZNDXQGZPOZITR-UHFFFAOYSA-N
    • ZIN
    • InChI=1/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H
    • SCHEMBL961310
    • A24196
    • UNII-9F9H65R9XM
    • NS00034360
    • DTXSID40209212
    • FT-0612950
    • AKOS009157775
    • MFCD00007165
    • 60468-54-4
    • CS-W002023
    • EN300-42222
    • 9F9H65R9XM
    • EINECS 262-249-3
    • 2-Methyl-3-nitrobenzyl chloride, 97%
    • AS-38670
    • M1816
    • MDL： MFCD00007165
    • Inchi： 1S/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3
    • InChI Key： XZNDXQGZPOZITR-UHFFFAOYSA-N
    • SMILES： ClCC1C=CC=C(C=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 185.02400
  • Monoisotopic Mass: 185.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 2.9
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Color/Form: Yellow or brown lumps
  • Density: 1.2797 (rough estimate)
  • Melting Point: 43.0 to 46.0 deg-C
  • Boiling Point: 299.7±25.0 °C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.5560 (estimate)
  • PSA: 45.82000
  • LogP: 3.16520
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Methyl-3-nitrobenzyl chloride Security Information

2-Methyl-3-nitrobenzyl chloride Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-Methyl-3-nitrobenzyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M134078-5g
2-Methyl-3-nitrobenzyl chloride
 60468-54-4 ≥98.0%(GC)
5g
 ￥273.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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 60468-54-4 ≥98.0%(GC)
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 ￥720.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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2-Methyl-3-nitrobenzyl chloride
 60468-54-4 ≥98.0%(GC)
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Fluorochem
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2-Methyl-3-nitrobenzyl chloride
 60468-54-4 95%
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 ￡123.00 2022-03-01
Alichem
A013010474-250mg
2-Methyl-3-nitrobenzyl chloride
 60468-54-4 97%
250mg
 $480.00 2023-09-01
Alichem
A013010474-500mg
2-Methyl-3-nitrobenzyl chloride
 60468-54-4 97%
500mg
 $823.15 2023-09-01
Alichem
A013010474-1g
2-Methyl-3-nitrobenzyl chloride
 60468-54-4 97%
1g
 $1549.60 2023-09-01
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R023317-1g
2-Methyl-3-nitrobenzyl chloride
 60468-54-4 98%
1g
 ￥115 2024-05-22
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R023317-5g
2-Methyl-3-nitrobenzyl chloride
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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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 60468-54-4 98%
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