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3',5'-Bis(trifluoromethyl)acetophenone

Basic information Uses Safety Supplier Related

3',5'-Bis(trifluoromethyl)acetophenone Basic information

Product Name:
3',5'-Bis(trifluoromethyl)acetophenone
Synonyms:
  • TRIFLUOROMETHYL ACETOPHENONE
  • 3',5'-Bis(trifluoromethyl)acetophenone 98%
  • 3,5-BIS(TRIFLUOROMETHYL)
  • 3,5-Di(trifluoromethyl)hypnone
  • 3',5'-Bis(trifluorom
  • 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one
  • 3.5-Bis(trifluoromethyl)acetopenone
  • 1-[3,5-bis(trifluoromethyl)phenyl]ethanone (Aprepitant)
CAS:
30071-93-3
MF:
C10H6F6O
MW:
256.14
EINECS:
250-023-7
Product Categories:
  • C10
  • Carbonyl Compounds
  • Boronic Acid series
  • PHARMACEUTICAL INTERMEDIATES
  • Miscellaneous
  • Ketones
  • Fluorides
  • Trifluoromethylbenzene serise
  • Aromatic Acetophenones & Derivatives (substituted)
  • ketone
  • Building Blocks
  • Carbonyl Compounds
  • Chemical Synthesis
  • Organic Building Blocks
  • Indolines ,Indoles
  • 30071-93-3
Mol File:
30071-93-3.mol
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3',5'-Bis(trifluoromethyl)acetophenone Chemical Properties

Boiling point:
95-98 °C (15 mmHg)
Density 
1.422 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.4221(lit.)
Flash point:
180 °F
storage temp. 
Sealed in dry,Room Temperature
form 
clear liquid
color 
Colorless to Light yellow
Specific Gravity
1.422
BRN 
2384789
InChI
InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3
InChIKey
MCYCSIKSZLARBD-UHFFFAOYSA-N
SMILES
C(=O)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C
CAS DataBase Reference
30071-93-3(CAS DataBase Reference)
NIST Chemistry Reference
3',5'-Bis(trifluoromethyl)acetophenone(30071-93-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39-37/39-36
RIDADR 
3439
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29147000

MSDS

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3',5'-Bis(trifluoromethyl)acetophenone Usage And Synthesis

Uses

3',5'-Bis(Trifluoromethyl)acetophenone is a reactant that has been used in the preparation of pyrazole carboxamide derivatives with antibacterial and antifungal activity.

Chemical Properties

CLEAR PALE YELLOW LIQUID

Uses

3'',5''-Bis(Trifluoromethyl)acetophenone is a reactant that has been used in the preparation of pyrazole carboxamide derivatives with antibacterial and antifungal activity.

Synthesis Reference(s)

The Journal of Organic Chemistry, 68, p. 3695, 2003 DOI: 10.1021/jo026903n

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