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Your Location：Home>Product Center >> Ketone products >> 3,5-Bis(trifluoromethyl)acetophenone
  • 3,5-Bis(trifluoromethyl)acetophenone
Name:3,5-Bis(trifluoromethyl)acetophenone
CAS No:30071-93-3

PRODUCT DESCRIPTION

【Name】
3',5'-Bis(trifluoromethyl)acetophenone
【Iupac name】
1-[3,5-bis(trifluoromethyl)phenyl]ethanone
【CAS Registry number】
30071-93-3
【Synonyms】
Acetophenone,3',5'-bis(trifluoromethyl)- (8CI)
1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-one
1-[3,5-Bis(trifluoromethyl)phenyl]ethanone
1-[3,5-Di(trifluoromethyl)phenyl]ethanone
3,5-Bis(trifluoromethyl)acetophenone
3,5-Bis(trifluoromethyl)phenyl methylketone
3,5-Di(trifluoromethyl)acetophenone
Ethanone,1-[3,5-bis(trifluoromethyl)phenyl]-
【EINECS(EC#)】
250-023-7
【Molecular Formula】
C10H6F6O (Products with the same molecular formula)
【Molecular Weight】
256.15
【Inchi】
InChI=1/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
【Canonical SMILES】
CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
【MOL File】
30071-93-3.mol

Chemical and Physical Properties

【Appearance】
clear pale yellow liquid
【Density】
1.42
【Boiling Point】
95℃ (15 torr)
【Refractive Index】
1.422-1.424
【Flash Point】
82℃
【Stability】
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:256.144459 [g/mol]
Molecular Formula:C10H6F6O
XLogP3:3.9
H-Bond Donor:0
H-Bond Acceptor:7
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:256.032284
MonoIsotopic Mass:256.032284
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Formal Charge:0
Complexity:270
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36/37/39-37/39-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S37/39:Wear suitable gloves and eye/face protection.?
S36:Wear suitable protective clothing. 
RIDADR: 3439 
WGK Germany: 3
Hazard Note: Irritant 
HazardClass of 3',5'-Bis(trifluoromethyl)acetophenone (CAS NO.30071-93-3): IRRITANT

【Transport】
3439
【Specification】

? 3',5'-Bis(trifluoromethyl)acetophenone (CAS NO.30071-93-3), its Synonyms are 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one ; Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]- ; 3,5-Bis(trifluoromethyl)acetophenone . It is clear pale yellow liquid.

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