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4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE, with the molecular formula C9H9F3O3, is a white crystalline powder that is soluble in both water and organic solvents. It is a chemical compound known for its reactive nature and versatile reactivity, which makes it an important building block in the field of organic chemistry.

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  • 101906-05-2 Structure
  • Basic information

    1. Product Name: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE
    2. Synonyms: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE;4-TRIFLUOROMETHYLPHENYLGLYOXAL HYDRATE, 95+%;2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde hydrate;2-Oxo-2-(4-(trifluoromethyl)
    3. CAS NO:101906-05-2
    4. Molecular Formula: C9H7F3O3
    5. Molecular Weight: 220.15
    6. EINECS: 604-604-1
    7. Product Categories: N/A
    8. Mol File: 101906-05-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 223.3 °C at 760 mmHg
    3. Flash Point: 84.1 °C
    4. Appearance: /
    5. Density: 1.331 g/cm3
    6. Vapor Pressure: 0.0971mmHg at 25°C
    7. Refractive Index: 1.458
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(101906-05-2)
    12. EPA Substance Registry System: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(101906-05-2)
  • 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: 101906-05-2(Hazardous Substances Data)

101906-05-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE is used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique chemical properties and reactivity contribute to the development of new and effective compounds for medical and agricultural applications.
Used in Organic Light-Emitting Diodes (OLEDs):
4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE has been studied for its potential use in organic light-emitting diodes (OLEDs). Its properties may contribute to the creation of more efficient and longer-lasting OLED devices, which are widely used in display and lighting technologies.
Used as a Fluorescent Probe:
4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE has also been investigated for its potential as a fluorescent probe. Its reactivity and properties may enable the development of new probes for various applications in chemical sensing, imaging, and diagnostics.

Check Digit Verification of cas no

The CAS Registry Mumber 101906-05-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,9,0 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 101906-05:
(8*1)+(7*0)+(6*1)+(5*9)+(4*0)+(3*6)+(2*0)+(1*5)=82
82 % 10 = 2
So 101906-05-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H5F3O2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-5H

101906-05-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE

1.2 Other means of identification

Product number -
Other names 4-trifluoromethylphenylglyoxal hydrate

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:101906-05-2 SDS

101906-05-2Relevant articles and documents

Nucleophilic addition of (difluoromethyl)trimethylsilane to selected α-imino ketones and aryl diketones

Obijalska, Emilia,Utecht, Greta,Kowalski, Marcin K.,Mlostoń, Grzegorz,Rachwalski, Micha?

, p. 4701 - 4703 (2015)

Abstract Chemoselective addition of (difluoromethyl)trimethylsilane (CHF2SiMe3) to the carbonyl bond of aryl glyoxal derived α-imino ketones, and selected diaryl 1,2-diketones were studied in the presence of initiators, such as potas

Chemoselective trifluoromethylation of the C=N group of α-iminoketones derived from arylglyoxals

Obijalska, Emilia,Kowalski, Marcin K.,Mlostoń, Grzegorz,Linden, Anthony,Heimgartner, Heinz

, p. 151 - 157 (2014)

Chemoselective addition of (trifluoromethyl)trimethylsilane to the CN group of N-(tert-butyl)-α-iminoketones in the presence of a fluoride ion as a catalyst was achieved under acidic conditions. Subsequent diastereoselective reductions of the obtained α-a

Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones

Pan, Dalong,Chu, Jinpeng,Gao, Xianrui,Wang, Cuiping,Meng, Qingtao,Chi, Haijun,Dong, Yan,Duan, Chunying,Zhang, Zhiqiang

supporting information, p. 6998 - 7003 (2018/10/17)

A highly regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates to afford N-1 and C-2 indolyl diketones in moderate to good yields is described. Notably, the control of regioselectivity is achieved by small changes in the Cu catalyst, additive and solvent. Importantly, the intermediates for N-1 and C-2 diacylation were detected and two plausible pathways were also proposed.

Catalytic asymmetric Meerwein-Ponndorf-Verley reduction of glyoxylates induced by a chiral N,N′-dioxide/Y(OTf)3 complex

Wu, Wangbin,Zou, Sijia,Lin, Lili,Ji, Jie,Zhang, Yuheng,Ma, Baiwei,Liu, Xiaohua,Feng, Xiaoming

supporting information, p. 3232 - 3235 (2017/03/20)

An asymmetric Meerwein-Ponndorf-Verley (MPV) reduction of glyoxylates was for the first time accomplished via an N,N′-dioxide/Y(OTf)3 complex with aluminium alkoxide and molecular sieves (MSs) as crucial additives. A variety of optically active α-hydroxyesters were obtained with excellent results. A possible reaction mechanism was proposed based on the experiments.

Naphthol synthesis: Annulation of nitrones with alkynes: Via rhodium(III)-catalyzed C-H activation

Wang, Qiang,Xu, Youwei,Yang, Xifa,Li, Yunyun,Li, Xingwei

supporting information, p. 9640 - 9643 (2017/09/01)

An efficient and redox-neutral naphthol synthesis has been realized via rhodium(iii) catalyzed C-H activation of α-carbonyl nitrones and annulation with alkynes, where the nitrone group functioned as a traceless directing group.

A highly efficient and enantioselective intramolecular cannizzaro reaction under TOX/Cu(II) catalysis

Wang, Pan,Tao, Wen-Jie,Sun, Xiu-Li,Liao, Saihu,Tang, Yong

supporting information, p. 16849 - 16852 (2013/12/04)

An asymmetric intramolecular Cannizzaro reaction of aryl and alkyl glyoxals with alcohols has been realized with an unprecedented high level of enantioselectivity, on the basis of a newly developed congested TOX ligand and a gradual liberation protocol of active glyoxals from glyoxal monohydrates. Preliminary results suggested a mechanism of enantioselective addition of alcohols to glyoxals contributing most to the stereoselectivity, other than by the dynamic kinetic resolution of hemiacetal intermediates.

Reactions of α-imino ketones derived from arylglyoxals with (trifluoromethyl)trimethylsilane; A new route to β-amino-α- trifluoromethyl alcohols

Mloston, Grzegorz,Obijalska, Emilia,Tafelska-Kaczmarek, Agnieszka,Zaidlewicz, Marek

scheme or table, p. 1289 - 1296 (2011/02/22)

The reactions of α-imino ketones, derived from arylglyoxals, with (trifluoromethyl)trimethylsilane (CF3SiMe3) in DME solution, in the presence of catalytic amount of CsF, at room temperature, yield O-silylated β-imino alcohols in the

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