3,3-Difluorocyclobutanecarboxylic acid supplier

Name
3,3-Difluorocyclobutanecarboxylic acid
EINECS
CAS No. 107496-54-8
Article Data3
CAS DataBase
Density 1.375 g/cm³
Solubility
Melting Point 51.0 to 55.0 °C
Formula C₅H₆F₂O₂
Boiling Point 204.688 °C at 760 mmHg
Molecular Weight 136.098
Flash Point 77.593 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Difluorocyclobutanecarboxylic acid;3,3-Difluoro-cyclobutanec...;Cyclobutanecarboxylic acid, 3,3-difluoro-
PSA 37.30000
LogP 1.11630

3,3-Difluorocyclobutanecarboxylic acid Specification

The CAS register number of 3,3-Difluorocyclobutanecarboxylic acid is 107496-54-8. It also can be called as Cyclobutanecarboxylicacid, 3,3-difluoro- and the IUPAC name about this chemical is 3,3-difluorocyclobutane-1-carboxylic acid. The molecular formula about this chemical is C₅H₆F₂O₂and the molecular weight is 136.10.

Physical properties about 3,3-Difluorocyclobutanecarboxylic acid are: (1)ACD/LogP: -0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 37.3Å²; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 25.022 cm³; (12)Molar Volume: 98.972 cm³; (13)Polarizability: 9.92x10^-24cm³; (14)Surface Tension: 31.961 dyne/cm; (15)Enthalpy of Vaporization: 48.593 kJ/mol; (16)Boiling Point: 204.688 °C at 760 mmHg; (17)Vapour Pressure: 0.106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(CC1(F)F)C(=O)O
(2)InChI: InChI=1/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
(3)InChIKey: PLRCVBKYFLWAAT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
(5)Std. InChIKey: PLRCVBKYFLWAAT-UHFFFAOYSA-N

Product Name

3,3-Difluorocyclobutanecarboxylic acid

3,3-Difluorocyclobutanecarboxylic acid Specification

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