233161

3′-(Trifluoromethyl)acetophenone

99%

• Synonim(y): 3-Acetylbenzotrifluoride
• Wzór liniowy: CF₃C₆H₄COCH₃
• Numer CAS: 349-76-8
• Masa cząsteczkowa: 188.15
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24853957
• EC Number: 206-490-4
• Beilstein/REAXYS Number: 640151
• MDL number: MFCD00000391
• Assay: 99%
• Form: liquid

Właściwości

• assay: 99%
• form: liquid
• refractive index: n20/D 1.4611 (lit.)
• bp: 198-200 °C (lit.)
• density: 1.235 g/mL at 25 °C (lit.)
• functional group: fluoro, ketone
• SMILES string: CC(=O)c1cccc(c1)C(F)(F)F
• InChI: 1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
• InChI key: ABXGMGUHGLQMAW-UHFFFAOYSA-N

Opis

General description

Asymmetric catalytic addition of ethyl groups to 3′-(trifluoromethyl)acetophenone catalyzed by ligands derived from trans-1,2-diaminocyclohexane and camphor sulfonyl chloride has been reported. Phenylation of 3′-(trifluoromethyl)acetophenone in the presence of dihydroxy bis(sulfonamide) ligand (enantioselective catalyst), titanium tetraisopropoxide and diphenylzinc has been investigated.

Application

3′-(Trifluoromethyl)acetophenone has been used in a key step during the preparation of a commercial fungicide.

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Informacja o środkach bezpieczeństwa

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Klasa składowania: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 174.2 °F - closed cup
• flash_point_c: 79 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter