| Identification | More | [Name]
3'-(Trifluoromethyl)acetophenone | [CAS]
349-76-8 | [Synonyms]
1-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE
1-(3-TRIFLUOROMETHYL-PHENYL)-ETHANONE
3-ACETYLBENZOFLUORIDE
3-ACETYLBENZOTRIFLUORIDE
3'-(TRIFLUOROMETHYL)ACETOPHENONE
3-(TRIFLUOROMETHYL)ACETOPHENONE
M-TRIFLUOROMETHYLACETOPHENONE
1-[3-(trifluoromethyl)phenyl]-ethanon
3-Trifludromethylacetophenone
Ethanone, 1-[3-(trifluoromethyl)phenyl]-
3'-Trifluoromethylacetophenone 3-Trifluoromethylacetophenone
3-Trifluoroacetophenone
3-ACETYLBENZOTRIFLUORIDE M-TRIFLUOROMETHYL ACETOPHENONE
3'-(Trifluoromethyl)acetophenone 98%
3'-(Trifluoromethyl)acetophenone98%
3′-(Trifluormethyl)acetophenon
3-trifluoromethylhypnone | [EINECS(EC#)]
206-490-4 | [Molecular Formula]
C9H7F3O | [MDL Number]
MFCD00000391 | [Molecular Weight]
188.15 | [MOL File]
349-76-8.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID | [Boiling point ]
198-200 °C(lit.)
| [density ]
1.235 g/mL at 25 °C(lit.)
| [vapor pressure ]
35Pa at 25℃ | [refractive index ]
n20/D 1.4611(lit.)
| [Fp ]
183 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Red to Green | [Specific Gravity]
1.235 | [Water Solubility ]
620mg/L at 25℃ | [BRN ]
640151 | [InChI]
1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3 | [InChIKey]
ABXGMGUHGLQMAW-UHFFFAOYSA-N | [SMILES]
CC(=O)c1cccc(c1)C(F)(F)F | [LogP]
2.55 at 25℃ | [CAS DataBase Reference]
349-76-8(CAS DataBase Reference) | [NIST Chemistry Reference]
3-CF3-C6H4-COCH3(349-76-8) | [EPA Substance Registry System]
349-76-8(EPA Substance) |
| Questions And Answer | Back Directory | [Preparation]
3'-(Trifluoromethyl)acetophenone is an important organic synthetic intermediate, mainly used in pharmaceuticals, pesticides, and dyes. Laboratory synthesis methods include: 1. Grignard reaction of m-trifluoromethylbenzyl cyanide with iodomethane. 2. Grignard reaction of m-trifluoromethylbenzoic acid after acylation with iodomethane. 3. Reaction of m-trifluoromethylbenzaldehyde with diazomethane. 4. Reaction of m-trifluoromethylaniline diazonium salt with acetaldehyde. 5. Reaction of m-trifluoromethylbromobenzene with Grignard reagent and acetic anhydride (using trifluoromethylbenzene as a starting material, after bromination, Grignard reaction, and reaction with acetic anhydride to synthesize 3'-(Trifluoromethyl)acetophenone, with an overall yield of 40%). Methods 1, 2, and 3 have expensive starting materials, are difficult to source, have low yields, are dangerous, and are not easily industrialized. Method 5 is easily industrialized, but the nitrogen yield is too low, only about 40%. Yancheng Fluorine Source Chemical Co., Ltd. has developed a new method to synthesize 3'-(Trifluoromethyl)acetophenone from m-trifluoromethylaniline through diazotization, coupling, and hydrolysis, with a total yield of 78%. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
1
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29147090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID | [Uses]
3''-?(Trifluoromethyl)?acetophenone is a reagent used in the stabilization of endosomal-toll-like receptor TRL8 creating a sort of inhibitory activity. | [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. |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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