2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone

HCID 144683
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Basic information

CAS
74853-66-0
Standard SMILES
O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIKey
ZERSWRKHUIMRSN-UHFFFAOYSA-N
Molecular formula
C9H4F6O
Average molar mass
242.12 g/mol
Monoisotopic mass
242.01663407

Names & identifiers

Preferred name
2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone
IUPAC
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone
English name
4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE
Molecular formula
C9H4F6O
Molecular weight
242.12

Names & synonyms

2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone2,2,2-Trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenoneRefChem:440492633-299-774853-66-04-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenoneMFCD000612762,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethan-1-one2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethanone2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-onePS-11192
Show more names
4'-trifluoromethyl-2,2,2-trifluoroacetophenone4-(Trifluoromethyl)-α,α,α-trifluoroacetophenone2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone98%2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone 98%2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)etanone2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE4-(Trifluoromethyl)-α,α,α-trifluoroaecetophenone, 98%
4-Trifluoromethyl-.alpha.,.alpha.,.alpha.-trifluoroacetophenone4-(Trifluoromethyl)-A,A,A-trifluoroacetophenone4-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenoneAMY19073Ethanone, 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]-A838243SCHEMBL1078685DTXSID20225819

Database identifiers

CAS
74853-66-0
PubChem CID
144683
DTXSID
DTXSID20225819
EC Number
633-299-7
Nikkaji
J267.437H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point
75 °C · 75°C 20mm
Density
1.417 · 1.417±0.06 g/cm3(Predicted)
refractive index
1.415 · 1.415
Flash point
55 · 55
storage temp.
Sealed in dry,Room Temperature
form
liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr
1993
hs_code
29147000
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone can be used in the synthesis of tetrahydropyranones through catalytic enantioselective oxa-hetero-Diels-Alder reactions of enones with aryl trifluoromethyl ketones.

Upstream & downstream products

Suppliers56 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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