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ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE, a chemical compound with the molecular formula C13H10F6O3, is a colorless liquid characterized by a fruity odor. It serves as a versatile intermediate in the synthesis of various products, including pharmaceuticals and agrochemicals, and contributes to the creation of flavors and fragrances.

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  • 175278-02-1 Structure
  • Basic information

    1. Product Name: ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE
    2. Synonyms: ETHYL [3,5-BIS(TRIFLUOROMETHYL)BENZOYL]ACETATE;ETHYL 3-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-OXOPROPANOATE;ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE;Ethylbistrifluoromethylbenzoylacetate;Ethyl 3-[3,5-di(trifluoromethyl)phenyl]-3-oxopropanoate, tech;Ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropionate, Ethyl [3,5-bis(trifluoromethyl)benzoyl]acetate;Ethyl 2-[3,5-bis(trifluoromethyl)benzoyl]acetate
    3. CAS NO:175278-02-1
    4. Molecular Formula: C13H10F6O3
    5. Molecular Weight: 328.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 175278-02-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 80 °C
    3. Flash Point: 102.2°C
    4. Appearance: /
    5. Density: 1.361g/cm3
    6. Vapor Pressure: 0.0218mmHg at 25°C
    7. Refractive Index: 1.427
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE(175278-02-1)
    12. EPA Substance Registry System: ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE(175278-02-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/21/22
    3. Safety Statements: 23-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 175278-02-1(Hazardous Substances Data)

175278-02-1 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE is used as a chemical intermediate for the synthesis of pharmaceuticals, playing a crucial role in the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical sector, ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE is utilized as an intermediate in the production of agrochemicals, contributing to the development of effective crop protection agents and other agricultural products.
Used in Flavor and Fragrance Industry:
ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE is used as a component in the manufacturing of flavors and fragrances, enhancing the sensory experience of various consumer products.
Safety Precautions:
It is important to handle ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE with care due to its potential hazards. It may be harmful if ingested or inhaled and can cause irritation to the skin and eyes, necessitating proper safety measures during its use and storage.

Check Digit Verification of cas no

The CAS Registry Mumber 175278-02-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,5,2,7 and 8 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 175278-02:
(8*1)+(7*7)+(6*5)+(5*2)+(4*7)+(3*8)+(2*0)+(1*2)=151
151 % 10 = 1
So 175278-02-1 is a valid CAS Registry Number.
InChI:InChI=1/C13H10F6O3/c1-2-22-11(21)6-10(20)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5H,2,6H2,1H3

175278-02-1SDS

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 Ethyl [3,5-bis(trifluoromethyl)benzoyl]-acetate

1.2 Other means of identification

Product number -
Other names Ethyl 3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanoate

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:175278-02-1 SDS

175278-02-1Downstream Products

175278-02-1Relevant articles and documents

Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of Racemic β’-Keto-β-Amino Esters via Dynamic Kinetic Resolution

He, Jiayin,Huang, An,Ling, Fei,Wang, Shiliang,Wang, Yifan,Wang, Ze,Zhao, Xianghua,Zhong, Weihui

supporting information, p. 4714 - 4719 (2021/09/02)

An iridium/f-diaphos catalytic system for the enantioselective hydrogenation of α-substituted β-ketoesters via dynamic kinetic resolution is reported. The desired anti β’-hydroxy-β-amino esters were obtained in moderate to good yields (60–95%) with 72–99% ees and 91:9 to 99:1 drs. This protocol tolerates various functional groups and could be easily conducted on gram scale with lower catalyst loading (TON up to 9100). (Figure presented.).

One pot direct synthesis of β-ketoesters via carbonylation of aryl halides using cobalt carbonyl

Baburajan, Poongavanam,Elango, Kuppanagounder P.

supporting information, p. 3525 - 3528 (2014/06/10)

A direct method for the synthesis of β-ketoesters from aryl halides (iodide, bromide) has been described by using cobalt carbonyl as carbon monoxide source in microwave irradiation. Using this protocol, a wide variety of substituted aryl halides has been successfully converted to corresponding β-ketoesters.

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