CAS No.50885-01-3,2-AMINO-3-FLUOROBUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50885-01-3
Name:	2-AMINO-3-FLUOROBUTYRIC ACID
Article Data:	5

Formula:	C₄H₈FNO₂
Molecular Weight:	121.111
Synonyms:	2-Amino-3-fluorobutyric acid;2-Amino-3-fluorobutanoic acid;
Density:	1.222 g/cm³
Melting Point:	186-187 °C
Boiling Point:	248.3 °C at 760 mmHg
Flash Point:	104 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	63.32000
LogP:	0.45660

Raw Materials

50884-93-0

Total:27 Page 1 of 1 1

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Specification

The Butanoic acid,2-amino-3-fluoro-, with the CAS registry number of 50885-01-3, is also known as 2-Amino-3-fluorobutyric acid. The molecular formula of this chemical is C₄H₈FNO₂ and its molecular weight is 121.11. What's more, its IUPAC name is 2-Amino-3-fluorobutanoic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, avoid contact with skin and eyes.

Physical properties about Butanoic acid,2-amino-3-fluoro- are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 25.76 cm³; (13)Molar Volume: 99 cm³; (14)Polarizability: 10.21×10^-24 cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.222 g/cm³; (17)Flash Point: 104 °C; (18)Enthalpy of Vaporization: 53.46 kJ/mol; (19)Boiling Point: 248.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00782 mmHg at 25 °C.

Preparation of Butanoic acid,2-amino-3-fluoro-: this chemical is prepared by 3-Fluoro-2-(2-oxo-4,5-diphenyl-oxazol-3-yl)-butyric acid benzyl ester. This reaction needs reagent H₂, catalyst 10percent Pd/C and solvent Ethanol. The reaction pressure is 2327.2 Pa. The yield is about 99 %.

The Butanoic acid,2-amino-3-fluoro- can be obtained by 3-Fluoro-2-(2-oxo-4,5-diphenyl-oxazol-3-yl)-butyric acid benzyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(C)C(N)C(=O)O
(2) InChI: InChI=1/C4H8FNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)
(3) InChIKey: HJVQOHDATXHIJL-UHFFFAOYAT