3-(4-Trifluoromethylphenyl)-2-propenal supplier

Name
3-(4-Trifluoromethylphenyl)propenal
EINECS
CAS No. 41917-83-3
Article Data12
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point
Formula C₁₀H₇F₃O
Boiling Point 246.7 °C at 760 mmHg
Molecular Weight 200.16
Flash Point 103.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xn
Synonyms (E)-3-[4-(Trifluoromethyl)phenyl]prop-2-enal;
PSA 17.07000
LogP 2.91750

3-(4-Trifluoromethylphenyl)-2-propenal Specification

The 3-(4-Trifluoromethylphenyl)propenal, with the CAS registry number of 41917-83-3, is also known as (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal. This chemical's molecular formula is C₁₀H₇F₃O and molecular weight is 200.1571896. What's more, its IUPAC name is (E)-3-[4-(Trifluoromethyl)phenyl]prop-2-enal. This chemical may cause damage to health.

Physical properties about 3-(4-Trifluoromethylphenyl)propenal are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.17; (6)ACD/BCF (pH 7.4): 129.17; (7)ACD/KOC (pH 5.5): 1129.24; (8)ACD/KOC (pH 7.4): 1129.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 47.3 cm³; (15)Molar Volume: 161.2 cm³; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 103.6 °C; (19)Enthalpy of Vaporization: 48.38 kJ/mol; (20)Boiling Point: 246.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0268 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(\C=C\C=O)cc1
(2) InChI: InChI=1/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
(3) InChIKey: HYCDCKWWJCPUNT-OWOJBTEDBQ

Product Name

3-(4-Trifluoromethylphenyl)propenal

3-(4-Trifluoromethylphenyl)-2-propenal Specification

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