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5-(Trifluoromethyl)-1-indanone is a chemical compound characterized by the molecular formula C10H7F3O. It is a white to off-white solid that is recognized for its distinctive structure and reactivity, which makes it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals.

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  • 150969-56-5 Structure
  • Basic information

    1. Product Name: 5-(Trifluoromethyl)-1-indanone
    2. Synonyms: 5-(TRIFLUOROMETHYL)-2,3-DIHYDROINDEN-1-ONE,98%;5-(TRIFLUOROMETHYL)INDANONE;5-trifluormethyl-1-indanone;5-(Trifluoromethyl)-1-indanone;2,3-Dihydro-5-(trifluoromethyl)-1H-inden-1-one, 2,3-Dihydro-1-oxo-5-(trifluoromethyl)-1H-indene;5-(TrifluoroMethyl)-2,3-dihydro-1H-inden-1-one
    3. CAS NO:150969-56-5
    4. Molecular Formula: C10H7F3O
    5. Molecular Weight: 200.16
    6. EINECS: N/A
    7. Product Categories: Indanone & Indene
    8. Mol File: 150969-56-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 237.1 °C at 760 mmHg
    3. Flash Point: 95.3 °C
    4. Appearance: /
    5. Density: 1.347 g/cm3
    6. Vapor Pressure: 0.0458mmHg at 25°C
    7. Refractive Index: 1.497
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 5-(Trifluoromethyl)-1-indanone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(Trifluoromethyl)-1-indanone(150969-56-5)
    12. EPA Substance Registry System: 5-(Trifluoromethyl)-1-indanone(150969-56-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 150969-56-5(Hazardous Substances Data)

150969-56-5 Usage

Uses

Used in Pharmaceutical Industry:
5-(Trifluoromethyl)-1-indanone is used as a key intermediate in the synthesis of pharmaceuticals for its unique reactivity and structural properties, contributing to the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, 5-(Trifluoromethyl)-1-indanone serves as an essential intermediate, facilitating the creation of novel agrochemicals aimed at enhancing crop protection and productivity.
It is crucial to handle 5-(Trifluoromethyl)-1-indanone with caution due to its classification as hazardous to human health and the environment. Adequate safety measures are imperative during its handling and storage to mitigate any risks of accidents or harm.

Check Digit Verification of cas no

The CAS Registry Mumber 150969-56-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,0,9,6 and 9 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 150969-56:
(8*1)+(7*5)+(6*0)+(5*9)+(4*6)+(3*9)+(2*5)+(1*6)=155
155 % 10 = 5
So 150969-56-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H7F3O/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2

150969-56-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-one

1.2 Other means of identification

Product number -
Other names 5-(trifluoromethyl)-2,3-dihydroinden-1-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:150969-56-5 SDS

150969-56-5Relevant articles and documents

CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE

-

, (2019/06/11)

Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

Discovery of INCB9471, a potent, selective, and orally bioavailable CCR5 antagonist with potent anti-HIV-1 activity

Xue, Chu-Biao,Chen, Lihua,Cao, Ganfeng,Zhang, Ke,Wang, Anlai,Meloni, David,Glenn, Joseph,Anand, Rajan,Xia, Michael,Kong, Ling,Huang, Taisheng,Feng, Hao,Zheng, Changsheng,Li, Mei,Galya, Laurine,Zhou, Jiacheng,Shin, Niu,Baribaud, Fredric,Solomon, Kim,Scherle, Peggy,Zhao, Bitao,Diamond, Sharon,Emm, Tom,Keller, Douglas,Contel, Nancy,Yeleswaram, Swamy,Vaddi, Kris,Hollis, Gregory,Newton, Robert,Friedman, Steven,Metcalf, Brian

scheme or table, p. 483 - 487 (2011/03/20)

To identify a CCR5 antagonist as an HIV-1 entry inhibitor, we designed a novel series of indane derivatives based on conformational considerations. Modification on the indane ring led to the discovery of compound 22a (INCB9471) that exhibited high affinit

Microwave-enhanced carbonylative generation of indanones and 3-acylaminoindanones

Wu, Xiongyu,Nilsson, Peter,Larhed, Mats

, p. 346 - 349 (2007/10/03)

(Chemical Equation Presented). The development of microwave-accelerated protocols for palladium(0)-catalyzed carbonylative cyclization of unsaturated aryl bromides and chlorides is described. By employing o-bromostyryl derivatives lacking substituents on the vinylic bond, molybdenum hexacarbonyl-mediated in situ carbonylation delivered a set of indan-1-one products in high yield after only 20 min of heating. Without the addition of the tri-tert-butylphosphine releasing Fu-salt ((t-Bu)3PHBF4), only incomplete conversions of sluggish o-styryl bromides and chlorides were realized. Internal and chemoselective palladium(0)-catalyzed Heck arylations of enamides afforded suitable starting materials for subsequent rapid ring-closing reactions. Microwave-heated intramolecular in situ carbonylation of these electron-rich and sterically congested olefins conveniently afforded eight functionalized 3-acylaminoindanone derivatives in a novel synthetic process. Attempted carbonylative annulation of electron-poor o-bromocinnamic acid derivatives furnished only the corresponding lactones via a competing hydroxycarbonylation- Michael addition reaction sequence.

Piperazinylpiperidine derivatives as chemokine receptor antagonists

-

Page/Page column 25, (2008/06/13)

The present invention relates to compounds of Formula I: wherein variable substituents are defined herein, that modulate the activity of or bind to chemokine receptors such as CCR5. In some embodiments, the compounds of the invention are selective for CCR

Rhodium Complex-Catalyzed Desilylative Cyclocarbonylation of 1-Aryl-2-(trimethylsilyl)acetylenes: A New Route to 2,3-Dihydro-1H-inden-1-ones

Takeuchi, Ryo,Yasue, Hiroyuki

, p. 5386 - 5392 (2007/10/02)

Under water gas shift reaction conditions, 1-aryl-2-(trimethylsilyl)acetylenes undergo Rh-catalyzed desilylative cyclocarbonylation to give 2,3-dihydro-1H-inden-1-ones and trimethylsilanol.A wide variety of functional groups, such as methoxy, chloro, acetyl, ethoxycarbonyl, cyano, and trifluoromethyl, are tolerated on the aromatic ring under the reaction conditions.The products were obtained in good to excellent yield whether the substituent on the aromatic ring was electron-donating or electron-withdrawing.The cyclizations of substrates bearing a meta substituent onthe aromatic ring regiospecifically gave 5-substituted-2,3-dihydro-1H-inden-1-ones except when the meta substituent was a methoxy group.The desilylative cyclocarbonylation is an alternative to the conventional preparation of 2,3-dihydro-1H-inden-1-ones, an intramolecular Friedel-Crafts acylation.A possible mechanism for the process is described.

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