3-Bromo-1,1,1-trifluoroacetone

Molecule structure of 3-Bromo-1,1,1-trifluoroacetone (CAS NO.431-35-6):

IUPAC Name: 3-Bromo-1,1,1-trifluoropropan-2-one 
Molecular Weight: 190.94659 [g/mol]
Molecular Formula: C₃H₂BrF₃O 
Density: 1.822 g/cm³ 
Melting Point: <-80 °C
Boiling Point: 87.7 °C at 760 mmHg 
Flash Point: 5 °C
Index of Refraction: 1.378
Molar Refractivity: 24.16 cm³
Molar Volume: 104.7 cm³
Polarizability: 9.58×10^-24 cm³
Surface Tension: 24.1 dyne/cm 
Enthalpy of Vaporization: 32.79 kJ/mol
Vapour Pressure: 63 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 189.924112
MonoIsotopic Mass: 189.924112
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Canonical SMILES: C(C(=O)C(F)(F)F)Br
InChI: InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
Storage temp.: flammables area
Sensitive:  lachrymatory
EINECS: 207-071-9
Product Categories: C3 to C6; Carbonyl Compounds; Ketones

Hazard Codes: F, C
Risk Statements: 11-34-37 
R11:Highly flammable. 
R34:Causes burns. 
R37:Irritating to respiratory system
Safety Statements: 16-26-36/37/39-45 
S16:Keep away from sources of ignition. 
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. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2924 3/PG 2
WGK Germany: 3
F: 19
Hazard Note: Corrosive/Flammable/Lachrymatory
HazardClass: 3
PackingGroup: II

 3-Bromo-1,1,1-trifluoroacetone (CAS NO.431-35-6) is also named as Bromotrifluoroacetone ; 1-Bromo-3,3,3-trifluoroacetone ; 2-propanone, 3-bromo-1,1,1-trifluoro- ; 3-Brom-1,1,1-trifluorpropan-2-on ; 3-Bromo-1,1,1-Trifluoro-2-Propanone ; 3-Bromo-1,1,1-trifluoropropanone ; 1-Bromo-3,3,3-trifluoro-2-propanone ; 1-Bromo-3,3,3-trifluoropropan-2-one . 3-Bromo-1,1,1-trifluoroacetone (CAS NO.431-35-6) is clear colorless to yellowish liquid.