Ethanone,1-(4-decylphenyl)-2,2,2-trifluoro- supplier

Name
P-DECYL-A,A,A-TRIFLUOROACETOPHENONE
EINECS
CAS No. 100444-41-5
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₅F₃O
Boiling Point 361.7 °C at 760 mmHg
Molecular Weight 314.39
Flash Point 231.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms p-Decyl-a,a,a-trifluoroacetophenone;p-Decyltrifluoroacetophenone;
PSA 17.07000
LogP 6.11480

Ethanone,1-(4-decylphenyl)-2,2,2-trifluoro- Specification

The Ethanone,1-(4-decylphenyl)-2,2,2-trifluoro-, with the CAS registry number 100444-41-5, is also known as p-Decyltrifluoroacetophenone. This chemical's molecular formula is C₁₈H₂₅F₃O and molecular weight is 314.39. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Decylphenyl)-2,2,2-trifluoroethanone. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.

Physical properties about Ethanone,1-(4-decylphenyl)-2,2,2-trifluoro-: (1)ACD/LogP: 7.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.39; (4)ACD/LogD (pH 7.4): 7.39; (5)ACD/BCF (pH 5.5): 243977.14; (6)ACD/BCF (pH 7.4): 243977.14; (7)ACD/KOC (pH 5.5): 249941.91; (8)ACD/KOC (pH 7.4): 249941.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.463; (14)Molar Refractivity: 83.34 cm³; (15) Molar Volume: 302.2 cm³; (16)Surface Tension: 30.6 dyne/cm; (17)Density: 1.04 g/cm³; (18)Flash Point: 231.3 °C; (19)Enthalpy of Vaporization: 60.75 kJ/mol; (20)Boiling Point: 361.7 °C at 760 mmHg; (21)Vapour Pressure: 2.04E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(=O)c1ccc(cc1)CCCCCCCCCC
(2) InChI: InChI=1/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3
(3) InChIKey: GJNWUVBDBVUZKP-UHFFFAOYAE

Product Name

P-DECYL-A,A,A-TRIFLUOROACETOPHENONE

Ethanone,1-(4-decylphenyl)-2,2,2-trifluoro- Specification

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