3-(Trifluoromethyl)benzenepropanal supplier

Name
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE
EINECS 606-717-0
CAS No. 21172-41-8
Article Data27
CAS DataBase
Density 1.192 g/cm³
Solubility
Melting Point
Formula C₁₀H₉F₃O
Boiling Point 207.4 °C at 760 mmHg
Molecular Weight 202.176
Flash Point 93.1 °C
Transport Information
Appearance colourless oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamaldehyde,m-(trifluoromethyl)- (8CI);3-(3-Trifluoromethylphenyl)propionaldehyde;
PSA 17.07000
LogP 2.83690

3-(Trifluoromethyl)benzenepropanal Specification

This chemical is called 3-(Trifluoromethyl)benzenepropanal, and its systematic name is 3-[3-(trifluoromethyl)phenyl]propanal. With the molecular formula of C₁₀H₉F₃O, its molecular weight is 202.17. The CAS registry number of this chemical is 21172-41-8, and its product categories are Aromatics Compounds; Aromatics. In addition, this chemical is colourless oil.

Other characteristics of the 3-(Trifluoromethyl)benzenepropanal can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.47; (6)ACD/BCF (pH 7.4): 56.47; (7)ACD/KOC (pH 5.5): 624.52; (8)ACD/KOC (pH 7.4): 624.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 45.6 cm³; (15)Molar Volume: 169.5 cm³; (16)Polarizability: 18.07×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.192 g/cm³; (19)Flash Point: 93.1 °C; (20)Enthalpy of Vaporization: 44.37 kJ/mol; (21)Boiling Point: 207.4 °C at 760 mmHg; (22)Vapour Pressure: 0.225 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cccc(c1)CCC=O
2.InChI: InChI=1/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2
3.InChIKey: APCCHYPQHODSBD-UHFFFAOYAS
4.Std. InChI: InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2
5.Std. InChIKey: APCCHYPQHODSBD-UHFFFAOYSA-N

Product Name

3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

3-(Trifluoromethyl)benzenepropanal Specification

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