Cas no 24973-59-9 (2,4,6-Tri-tert-Butylnitrosobenzene)

2,4,6-Tri-tert-Butylnitrosobenzene is a sterically hindered nitrosobenzene derivative characterized by its three tert-butyl substituents. This compound is notable for its stability due to the bulky tert-butyl groups, which shield the reactive nitroso functional group from decomposition or unwanted reactions. It is commonly employed as a spin trap in electron paramagnetic resonance (EPR) spectroscopy for detecting and studying short-lived free radicals. The tert-butyl groups enhance solubility in organic solvents, facilitating its use in various reaction media. Its robust structure also makes it suitable for mechanistic studies in radical chemistry. The compound’s high purity and predictable reactivity are advantageous for precise experimental applications.
2,4,6-Tri-tert-Butylnitrosobenzene structure
24973-59-9 structure
Product Name:2,4,6-Tri-tert-Butylnitrosobenzene
CAS No:24973-59-9
MF:C18H29NO
MW:275.428965330124
CID:269532
PubChem ID:87577293
Update Time:2025-05-28

2,4,6-Tri-tert-Butylnitrosobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Tri-tert-butyl-2-nitrosobenzene
    • 2,4,6-Tri-tert-butylnitrosobenzene
    • 1,3,5-tritert-butyl-2-nitrosobenzene
    • 2,4,6-TRI-TERT-BUTYLNITROSOBENZENE [SPIN TRAPPING REAGENT]
    • Benzene,1,3,5-tris(1,1-dimethylethyl)-2-nitroso-
    • 2,4,6-tri-t-butylnitrosobenzene
    • 2,4,6-tri-tert-butyl-1-nitrosobenzene
    • 2,4,6-Tri-tert-butylnitrosobenzene,2-Nitroso-1,3,5-tri-tert-butylbenzene,TTBNB
    • TTBNB
    • Benzene,1,3,5-tri-tert-butyl-2-nitroso- (8CI)
    • 1-Nitroso-2,4,6-tri-t-butylbenzene
    • NSC 677542
    • 2,4,6-Tri-t-butyl-nitrosobenzene
    • NSC677542
    • 1,3,5-Tri(tert-butyl)-2-nitrosobenzene
    • Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitroso-
    • 2-Nitroso-1,3,5-tri-tert-butylbenzene
    • OSICDPWAPKXXHT-UH
    • 1,3,5-Tri-tert-butyl-2-nitrosobenzene, for ESR-spectroscopy, >98.0% (HPLC)
    • AKOS004120290
    • T72161
    • EINECS 246-553-3
    • SZX3GP4GT9
    • NS00027779
    • J-640237
    • FT-0745688
    • OSICDPWAPKXXHT-UHFFFAOYSA-N
    • T1534
    • NSC-677542
    • ZAA97359
    • Nitrosobenzene, 2,4,6-tri-tert-butyl-
    • AS-68087
    • 1,3,5-tritert-butyl-2-nitroso-benzene
    • 1, 3, 5-tritert-butyl-2-nitrosobenzene
    • DTXSID40179688
    • UNII-SZX3GP4GT9
    • 1,3,5-TRIS(1,1-DIMETHYLETHYL)-2-NITROSOBENZENE
    • 24973-59-9
    • SCHEMBL104121
    • 2,4,6-Tri-tert-Butylnitrosobenzene
    • MDL: MFCD00008817
    • Inchi: 1S/C18H29NO/c1-16(2,3)12-10-13(17(4,5)6)15(19-20)14(11-12)18(7,8)9/h10-11H,1-9H3
    • InChI Key: OSICDPWAPKXXHT-UHFFFAOYSA-N
    • SMILES: O=NC1C(=CC(=CC=1C(C)(C)C)C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 275.22500
  • Monoisotopic Mass: 275.224915
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 316
  • 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: 6.3
  • Topological Polar Surface Area: 29.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.9809 (rough estimate)
  • Melting Point: 168°C(lit.)
  • Boiling Point: 418.37°C (rough estimate)
  • Flash Point: 130.2°C
  • Refractive Index: 1.5000 (estimate)
  • PSA: 29.43000
  • LogP: 5.97700
  • Solubility: Not determined

2,4,6-Tri-tert-Butylnitrosobenzene Security Information

  • WGK Germany:3
  • Safety Instruction: 24/25
  • Storage Condition:0-10°C

2,4,6-Tri-tert-Butylnitrosobenzene 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%

2,4,6-Tri-tert-Butylnitrosobenzene Pricemore >>

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2,4,6-Tri-tert-Butylnitrosobenzene Production Method

2,4,6-Tri-tert-Butylnitrosobenzene Related Literature

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