Cas no 1996-69-6 (Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-)

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- is a specialized aromatic compound featuring a trifluoromethyl group, a nitro substituent, and a methoxyphenoxy moiety. Its unique structure imparts distinct electronic and steric properties, making it valuable as an intermediate in organic synthesis, particularly in the development of agrochemicals and pharmaceuticals. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the nitro group offers reactivity for further functionalization. The methoxyphenoxy fragment contributes to solubility and potential biological activity. This compound is suited for applications requiring precise molecular tuning, such as ligand design or material science, where its structural motifs can influence binding affinity or material performance.
Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- structure
1996-69-6 structure
Product Name:Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-
CAS No:1996-69-6
MF:C14H10F3NO4
MW:313.228714466095
MDL:MFCD00052260
CID:137305
PubChem ID:2775271
Update Time:2025-10-29

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-
    • 4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride
    • 1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
    • 4-(4-Methoxyphenoxy)-3-nitro-benzotrifluoride97%
    • 4-(4-Methoxyphenoxy)-3-nitro-benzotrifluoride 97%
    • MFCD00052260
    • FT-0616641
    • HMS545M05
    • BTB 05265
    • DTXSID80379488
    • AKOS015911276
    • Maybridge1_001501
    • A814116
    • 1996-69-6
    • CS-0449381
    • DB-017785
    • MDL： MFCD00052260
    • Inchi： 1S/C14H10F3NO4/c1-21-10-3-5-11(6-4-10)22-13-7-2-9(14(15,16)17)8-12(13)18(19)20/h2-8H,1H3
    • InChI Key： WJNPONNEXMSLPF-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(=C(C=1)[N+](=O)[O-])OC1C=CC(=CC=1)OC)(F)F

Computed Properties

  • Exact Mass: 313.05600
  • Monoisotopic Mass: 313.05619229g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 377
  • 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: nothing
  • Topological Polar Surface Area: 64.3?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 45 °C
  • PSA: 64.28000
  • LogP: 4.93770
  • Solubility: Not determined

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- Security Information

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- Customs Data

  • HS CODE：2909309090
  • Customs Data：

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).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:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
008373-1g
4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride
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 ￡90.00 2022-03-01
Alichem
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1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
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Apollo Scientific
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4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride
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Oakwood
008373-250mg
4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride
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250mg
 $95.00 2024-07-19
Oakwood
008373-1g
4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride
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1g
 $180.00 2024-07-19
A2B Chem LLC
AB08971-250mg
1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
 1996-69-6
250mg
 $219.00 2024-04-20
A2B Chem LLC
AB08971-1g
1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
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1g
 $325.00 2024-04-20
Ambeed
A716347-1g
1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
 1996-69-6 95+%
1g
 $110.0 2024-08-03
Crysdot LLC
CD12098868-25g
1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
 1996-69-6 95+%
25g
 $324 2024-07-24

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