CAS No.871543-59-8,3-[3-(Trifluoromethyl)phenyl]-2-propenal Suppliers

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Basic Information

Molecular Structure:
CAS No.:	871543-59-8
Name:	3-[3-(Trifluoromethyl)phenyl]-2-propenal
Article Data:	23

Formula:	C₁₀H₇F₃O
Molecular Weight:	200.16
Synonyms:	3-(trifluoromethyl)cinnamaldehyde;
Density:	1.241 g/cm³
Boiling Point:	256.865 °C at 760 mmHg
Flash Point:	107.119 °C
PSA:	17.07000
LogP:	2.91750

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Specification

The CAS register number of 3-[3-(Trifluoromethyl)phenyl]-2-propenal is 871543-59-8. It also can be called as 3-(trifluoromethyl)cinnamaldehyde and the systematic name about this chemical is (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal. The molecular formula about this chemical is C₁₀H₇F₃O and the molecular weight is 200.16.

Physical properties about 3-[3-(Trifluoromethyl)phenyl]-2-propenal are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 108; (5)ACD/BCF (pH 7.4): 108; (6)ACD/KOC (pH 5.5): 996; (7)ACD/KOC (pH 7.4): 996; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.499; (12)Molar Refractivity: 47.309 cm³; (13)Molar Volume: 161.238 cm³; (14)Polarizability: 18.755x10^-24cm³; (15)Surface Tension: 29.673 dyne/cm; (16)Density: 1.241 g/cm³; (17)Flash Point: 107.119 °C; (18)Enthalpy of Vaporization: 49.44 kJ/mol; (19)Boiling Point: 256.865 °C at 760 mmHg; (20)Vapour Pressure: 0.015 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(\C=C\C=O)c1
(2)InChI: InChI=1/C10H7F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-7H/b4-2+
(3)InChIKey: JMKMLIWUWJNVIG-DUXPYHPUBC
(4)Std. InChI: InChI=1S/C10H7F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-7H/b4-2+
(5)Std. InChIKey: JMKMLIWUWJNVIG-DUXPYHPUSA-N