structure of 230615-51-7

1-(4,5-Dihydro-1H-1,5-Methanobenzo[d]Azepin-3(2H)-yl)-2,2,2-Trifluoroethanone(CAS 230615-51-7)

CAS No.: 230615-51-7 Brand: MolBest
M. Ft.: C13H12F3NO Cat. No: G9769906
M. Wt.: 255.24 MDL: No record
Storage: 2-8°C Use: For laboratory research use only
HS CODE: 2933990090
Purity Grade Package Stock Price Quantity
98%
Documents:COANMRGCMSSDS
RG 250MG In Stock 3 USD
98%
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RG 1G In Stock 4 USD
98%
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RG 5G In Stock 15 USD
98%
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RG 25G In Stock 73 USD
98%
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RG 100G In Stock 262 USD
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Applications of 230615-51-7

Industry Application Process
Pharmaceutical R&D Candidate compound for central nervous system (CNS) drugs targeting psychiatric disorders such as anxiety and depression Serves as a structural probe for positive allosteric modulation of the GABAA receptor; used as a key intermediate or active molecular scaffold in structure–activity relationship (SAR) studies
Pharmaceutical Intermediates Chiral building block for synthesizing novel benzodiazepine-type sedative-hypnotics or anticonvulsants Applied in constructing the 3-fluoro-substituted 1,5-methano-1,4-benzodiazepine core scaffold following selective reduction, hydrolysis, and chiral resolution

Physical and chemical properties of 230615-51-7

Acidity coefficient

-1.82±0.20(Predicted)

Boiling Point

381.749ºC at 760 mmHg

Density

1.333

Exact Mass

255.08700

Flash Point

184.675ºC

Index of Refraction

1.528

LogP

2.59990

Melting Point

67-68ºC

Molecular Formula

C13H12F3NO

Molecular Weight

255.23600

PSA

20.31000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0mmHg at 25°C

Spectrums of 230615-51-7

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 230615-51-7

Retrosynthesis analysis of 230615-51-7


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Download SDS of 230615-51-7

Pictograms

Signal Word

Warning

Hazard Statements

H302 Harmful if swallowed
H315 Causes skin irritation
H319 Causes serious eye irritation
H335 May cause respiratory irritation

Safety Data Sheet

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