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

Basic Information

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CAS Number

230615-51-7

Molecular Formula

C13H12F3NO

Molecular Weight

255.24 g/mol

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

Melting Point

67-68 ºC

Boiling Point

381.7°C at 760 mmHg

SMILES

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C1C2CN(CC1C3=CC=CC=C23)C(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO/c14-13(15,16)12(18)17-6-8-5-9(7-17)11-4-2-1-3-10(8)11/h1-4,8-9H,5-7H2

InChIKey

LMOTUASGGOAXPT-UHFFFAOYSA-N

LogP

2.662000000000001

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

335

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one
DTXSID30619028
1-(10-Aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
1-(10-Aza-tricyclo(6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2.2,2-trifluoro-ethanone
1-(10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
DS-3966
FT-0701050
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-
1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
AKOS016005210
CS-B0005
2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
AC-9012
1-{10-AZATRICYCLO[6.3.1.0(2),?]DODECA-2(7),3,5-TRIEN-10-YL}-2,2,2-TRIFLUOROETHANONE
SCHEMBL1971200
3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine
2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)ethan-1-one
1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2trifluoro-ethanone
J-506857
1-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-
230615-51-7
C13H12F3NO
1-(10-Azatricyclo[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
1-(10-AZA-TRICYCLO[6.3.1.0]DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUORO-ETHANONE
1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
1-(10-aza-tricyclo[6.3.1.0(2.7)]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
1-(10-Aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone
AK102878
LMOTUASGGOAXPT-UHFFFAOYSA-N
RL02726

MDL Number

MFCD11042282

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-(10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-51-7)?

This compound (CAS: 230615-51-7) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labels and safety data sheets. For European Union markets, it must adhere to REACH regulations, ensuring the safety and environmental compatibility of the chemical. Additionally, FDA and EPA guidelines should be followed for safety evaluations and environmental assessments, respectively.

Are there alternatives to 1-(10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone in synthesis?

For synthesis, alternative reagents like 2,2,2-trifluoroethyl trifluoroacetate or trifluoroacetic anhydride can be used as viable alternatives. These reagents offer similar functionality but may differ in reactivity and synthetic convenience. Analogous compounds such as 1-(10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-propan-2-one might also serve as useful alternatives depending on the specific requirements of the synthesis.

What is the market or research trend for 1-(10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-51-7)?

The market trend for this compound (CAS: 230615-51-7) reflects growing interest in novel azatricyclic compounds due to their unique structural features and potential applications in pharmaceuticals and synthetic chemistry. Research is increasingly focusing on its use as intermediates in drug synthesis and as materials for advanced chemical processes. Price trends suggest a stable demand with moderate fluctuations based on supply chain dynamics.

How should waste containing 1-(10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS: 230615-51-7) be handled?

Waste containing this compound (CAS: 230615-51-7) should be collected in appropriate, leak-proof containers and stored in a secure, well-ventilated area away from heat and ignition sources. Proper waste disposal methods include incineration or professional waste treatment facilities that can handle hazardous chemicals. Environmental precautions include ensuring no waste leaks into soil or water bodies, and following local environmental protection regulations.