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2396-05-6

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Basic Information
CAS No.: 2396-05-6
Name: 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone
Article Data: 3
Molecular Structure:
Molecular Structure of 2396-05-6 (1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone)
Formula: C10H10 F3 N O
Molecular Weight: 217.191
Synonyms: Acetophenone,4'-(dimethylamino)-2,2,2-trifluoro- (7CI,8CI);4-(Trifluoroacetyl)-N,N-dimethylaniline; 4-Dimethylaminophenyl trifluoromethylketone; N,N-Dimethyl-p-(trifluoroacetyl)aniline; p-(Dimethylamino)-w,w,w-trifluoroacetophenone
Density: 1.238g/cm3
Melting Point: 72-76 °C(lit.)
Boiling Point: 265.8°C at 760 mmHg
Flash Point: 114.5°C
Hazard Symbols:
Risk Codes: R36/37/38   
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
PSA: 20.31000
LogP: 2.49760
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Chemistry

Molecule structure of 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone (CAS NO.2396-05-6):

Molecular Formula: C10H10F3NO
Molecular Weight: 217.19 g/mol
CAS Registry Number: 2396-05-6 
Index of Refraction: 1.494
Molar Refractivity: 51.05 cm3
Molar Volume: 175.3 cm3
Polarizability: 20.23×10-24 cm3
Surface Tension: 32.3 dyne/cm
Density: 1.238 g/cm3 
Melting Point: 72-76 °C(lit.)
Flash Point: 114.5 °C
Enthalpy of Vaporization: 50.37 kJ/mol
Boiling Point: 265.8 °C at 760 mmHg
Vapour Pressure: 0.00898 mmHg at 25 °C 
InChI: InChI=1/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3 
InChIKey: NDKSWWUQHXZADC-UHFFFAOYAH
Std. InChI: InChI=1S/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3 
Std. InChIKey: NDKSWWUQHXZADC-UHFFFAOYSA-N 
Product Categories of 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone (CAS NO.2396-05-6): ACETYLHALIDE; C10; Carbonyl Compounds; Ketones

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone (CAS NO.2396-05-6) is also named as 1-[4-(Dimethylamino)phenyl]-2,2,2-trifluoroethan-1-one ; Ethanone, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro- ; 4'-(Dimethylamino)-2,2,2-trifluoroacetophenone .