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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone | CAS No. 230615-59-5

1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone

Basic Information

Chemical_Structure_Of
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CAS Number

230615-59-5

Molecular Formula

C13H10F3N3O5

Molecular Weight

345.23 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1C2CN(CC1C3=CC(=C(C=C23)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2

InChIKey

BDTXJBWOCIFUMR-UHFFFAOYSA-N

LogP

3.46270

Complexity

537

Synonyms & References

English

  • SCHEMBL1903629
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
  • CS-B0006
  • Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
  • Vareniline
  • FT-0675012
  • SY041559
  • MFCD10566032
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
  • 1-(4,5-dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifloro-ethanone
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3.5-trien-10-yl)-2.2.2-trifluoro-ethanone
  • 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-triflouroethanone
  • 1-(4, 5-Dinitro-10-aza-tricyclo(6.3.1.02.7]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
  • J-014967
  • 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
  • 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
  • AC-9011
  • AS-74544
  • 1-{4,5-DINITRO-10-AZATRICYCLO[6.3.1.0(2),?]DODECA-2(7),3,5-TRIEN-10-YL}-2,2,2-TRIFLUOROETHAN-1-ONE
  • 3-(Trifluoroacetyl)-7,8-dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepine
  • DTXSID90619029
  • 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo-[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
  • 1-(7,8-Dinitro-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)-2,2,2-trifluoroethan-1-one
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7), 3,5-trien-10-yl)-2.2,2-trifluoro-ethanone
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone
  • 230615-59-5
  • 1 -(4,5-dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
  • NS00005413
  • 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7 ]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-triflouro-ethanone

MDL Number

MFCD10566032

FAQ

What regulatory guidelines apply to 1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-59-5)?
This compound falls under several regulatory guidelines such as GHS classification, REACH regulations, and FDA/EPA requirements. GHS classifies it as a dangerous substance due to its reactivity and toxicity. REACH regulations require registration and safety data sheets. FDA and EPA may have specific requirements for its import, use, and disposal in the United States.

Are there alternatives to 1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-59-5) in synthesis?
There are alternative reagents that can be used as substitutes in some synthesis processes, such as nitroso compounds or other fluoro derivatives. However, the choice of alternative depends on the specific reaction conditions and desired product. It is recommended to consult chemical literature and consult with a chemist to determine the best alternative.

What is the market or research trend for 1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-59-5)?
Market trends for this compound are not readily available due to its limited industrial use. However, research trends indicate its interest in specialized applications such as pharmaceuticals and materials science. The compound is less common, making market trends difficult to track. For research, it is primarily used in niche applications requiring its unique chemical properties.

How should waste containing 1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-59-5) be handled?
Waste containing this compound should be handled carefully to ensure safety. Collection should be done in appropriate containers, sealed to prevent spillage. Incineration is a common method for disposal, but ensure it is done in a controlled environment to avoid environmental contamination. Professional waste disposal services are recommended to ensure compliance with regulations and environmental safety.

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Hubei Shixing Chemical Co., Ltd.

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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone — HuBeiAnAo Biotechnology Co Ltd

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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone — HuBeiMoDe Chemical Co Ltd

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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone — Shanghai Jixiang Biotechnology Co., Ltd.

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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone — HuBeiBaiDuHuaXue Co Ltd

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1-(4,5-Dinitro-10-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone — ShenZhenZhenJiangShengWuJiShu Co Ltd

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