Cas no 6279-89-6 (5-tert-Butyl-1,3-dimethyl-2-nitro-benzene)

5-tert-Butyl-1,3-dimethyl-2-nitro-benzene is a substituted aromatic compound featuring a tert-butyl group and nitro functionality on a dimethylbenzene backbone. Its sterically hindered structure contributes to stability, making it useful as an intermediate in organic synthesis, particularly in the development of specialty chemicals and fine pharmaceuticals. The electron-withdrawing nitro group enhances reactivity in electrophilic substitution reactions, while the tert-butyl substituent influences solubility and steric properties. This compound is valued for its role in synthesizing complex molecules, including agrochemicals and dyes, where controlled functionalization is required. High purity grades ensure consistent performance in research and industrial applications.
5-tert-Butyl-1,3-dimethyl-2-nitro-benzene structure
6279-89-6 structure
Product Name:5-tert-Butyl-1,3-dimethyl-2-nitro-benzene
CAS No:6279-89-6
MF:C12H17NO2
MW:207.268883466721
MDL:MFCD00052180
CID:518701
PubChem ID:223390
Update Time:2025-05-28

5-tert-Butyl-1,3-dimethyl-2-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,5-(1,1-dimethylethyl)-1,3-dimethyl-2-nitro-
    • 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE
    • 5-(tert-Butyl)-1,3-dimethyl-2-nitrobenzene
    • 5-tert-butyl-1,3-dimethyl-2-nitrobenzene
    • 1,3-dimethyl-2-nitro-5-t-butylbenzene
    • 1-nitro-4-tert-butyl-2,6-dimethylbenzene
    • 2,6-Dimethyl-4-tert.-butyl-nitrobenzen
    • 2-Nitro-1,3-dimethyl-5-tert-butylbenzen
    • 5-tert-butyl-1,3-dimethyl-2-nitro-benzene
    • 5-tert-Butyl-1,3-dimethyl-2-nitro-benzol
    • Maybridge1_006107
    • 2-nitro-1,3-dimethyl-5-tertiary-butyl-benzene
    • NZAWLDGUWOQFQA-UHFFFAOYSA-N
    • 2-nitro-1,3-dimethyl-5-tertiary-butylbenzene
    • NSC11015
    • DTXSID10279008
    • 2-nitro-1,3-dimethyl-5-tertiarybutylbenzene
    • HMS558N13
    • CCG-1361
    • 5-tert-Butyl-2-nitro-m-xylene
    • MFCD00052180
    • AKOS002235003
    • 1-nitro4-tert-butyl-2,6-dimethylbenzene
    • SCHEMBL2230167
    • G64576
    • AS-6261
    • 6279-89-6
    • NSC-11015
    • 5-tert-Butyl-1,3-dimethyl-2-nitro-benzene
    • MDL： MFCD00052180
    • Inchi： 1S/C12H17NO2/c1-8-6-10(12(3,4)5)7-9(2)11(8)13(14)15/h6-7H,1-5H3
    • InChI Key： NZAWLDGUWOQFQA-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C(C)=CC(=CC=1C)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 207.12600
  • Monoisotopic Mass: 207.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.82000
  • LogP: 4.03230

5-tert-Butyl-1,3-dimethyl-2-nitro-benzene Customs Data

  • HS CODE：2904209090
  • Customs Data：

    China Customs Code:

    2904209090

    Overview:

    2904209090 Other derivatives containing only nitro or nitroso groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2904209090 derivatives containing only nitro or only nitroso groups.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

5-tert-Butyl-1,3-dimethyl-2-nitro-benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B943480-10mg
5-tert-Butyl-1,3-dimethyl-2-nitro-benzene
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 $ 50.00 2022-06-06
TRC
B943480-50mg
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B943480-100mg
5-tert-Butyl-1,3-dimethyl-2-nitro-benzene
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 $ 135.00 2022-06-06
abcr
AB403551-1 g
5-(tert-Butyl)-1,3-dimethyl-2-nitrobenzene
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 €231.20 2023-04-25
abcr
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5-(tert-Butyl)-1,3-dimethyl-2-nitrobenzene; .
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 €231.20 2025-04-17
abcr
AB403551-5g
5-(tert-Butyl)-1,3-dimethyl-2-nitrobenzene; .
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abcr
AB403551-10g
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1722268-100mg
5-(1,1-Dimethylethyl)-1,3-dimethyl-2-nitrobenzene
 6279-89-6 98%
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1722268-1g
5-(1,1-Dimethylethyl)-1,3-dimethyl-2-nitrobenzene
 6279-89-6 98%
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 ￥997.00 2024-05-06
Crysdot LLC
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5-(tert-Butyl)-1,3-dimethyl-2-nitrobenzene
 6279-89-6 97%
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 $737 2024-07-24

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