3,5,7-Trifluoro-1-adamantanecarboxylic acid supplier

Name
3,5,7-Trifluoroadamantane-1-carboxylic acid
EINECS
CAS No. 214557-89-8
Article Data6
CAS DataBase
Density 1.412 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃F₃O₂
Boiling Point 304.327 °C at 760 mmHg
Molecular Weight 234.21
Flash Point 137.853 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5,7-Trifluoroadamantane-1-carboxylic acid;
PSA 37.30000
LogP 2.56370

3,5,7-Trifluoro-1-adamantanecarboxylic acid Specification

The 3,5,7-Trifluoro-1-adamantanecarboxylic acid, with the CAS registry number 214557-89-8, is also known as 3,5,7-Trifluoroadamantane-1-carboxylic acid. This chemical's molecular formula is C₁₁H₁₃F₃O₂ and molecular weight is 234.21. What's more, its systematic name is 3,5,7-Trifluoro-1-adamantanecarboxylic acid.

Physical properties of 3,5,7-Trifluoro-1-adamantanecarboxylic acid are: (1)ACD/LogP: 0.887; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -2.75; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 48.892 cm³; (15)Molar Volume: 165.892 cm³; (16)Polarizability: 19.382×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 137.853 °C; (20)Enthalpy of Vaporization: 59.908 kJ/mol; (21)Boiling Point: 304.327 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C13CC2(F)CC(F)(CC(F)(C1)C2)C3
(2)Std. InChI: InChI=1S/C11H13F3O2/c12-9-1-8(7(15)16)2-10(13,4-9)6-11(14,3-8)5-9/h1-6H2,(H,15,16)
(3)Std. InChIKey: QBRDOUHHJWRTHN-UHFFFAOYSA-N

Product Name

3,5,7-Trifluoroadamantane-1-carboxylic acid

3,5,7-Trifluoro-1-adamantanecarboxylic acid Specification

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