-
Name
2-Fluoroisobutyric acid
- EINECS
- CAS No. 63812-15-7
- Article Data3
- CAS DataBase
- Density 1.12 g/cm3
- Solubility Soluble in water.
- Melting Point
- Formula C4H7FO2
- Boiling Point 163.2 °C at 760 mmHg
- Molecular Weight 106.097
- Flash Point 52.5 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 34
-
Molecular Structure
-
Hazard Symbols
C,
Xi
- Synonyms 2-Fluoro-2-methylpropanoicacid;2-Fluoroisobutyric acid;
- PSA 37.30000
- LogP 0.81910
2-Fluoroisobutyric acid Specification
The 2-Fluoroisobutyric acid, with the CAS registry number 63812-15-7, is also known as Perfluoroisobutyric acid. This chemical's molecular formula is C4H7FO2 and molecular weight is 106.1. Its systematic name is called 2-fluoro-2-methylpropanoic acid.
Physical properties of 2-Fluoroisobutyric acid: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.386; (13)Molar Refractivity: 22.27 cm3; (14)Molar Volume: 94.6 cm3; (15)Surface Tension: 27.9 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 52.5 °C; (18)Enthalpy of Vaporization: 44.09 kJ/mol; (19)Boiling Point: 163.2 °C at 760 mmHg; (20)Vapour Pressure: 1.07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It also may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(C(=O)O)(C)C
(2)InChI: InChI=1/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
(3)InChIKey: NZDOWZQRNZLBOY-UHFFFAOYAO
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