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43163-93-5

Basic Information
CAS No.: 43163-93-5
Name: BETA-FLUORO-DL-ALANINE
Article Data: 30
Molecular Structure:
Molecular Structure of 43163-93-5 (BETA-FLUORO-DL-ALANINE)
Formula: C3H6FNO2
Molecular Weight: 107.085
Synonyms: Alanine,3-fluoro-, DL- (8CI);DL-Alanine, 3-fluoro-;3-Fluoro-DL-alanine;Racemicfluoromethylglycine;
Density: 1.302 g/cm3
Boiling Point: 266.9 °C at 760 mmHg
Flash Point: 115.2 °C
PSA: 63.32000
LogP: 0.06810
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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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    The Alanine, 3-fluoro-, with the CAS registry number 43163-93-5, is also known as 3-Fluoro-DL-alanine. This chemical's molecular formula is C3H6FNO2 and molecular weight is 107.08. What's more, its systematic name is 3-Fluoroalanine. Its st

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The Alanine, 3-fluoro-, with the CAS registry number 43163-93-5, is also known as 3-Fluoro-DL-alanine. This chemical's molecular formula is C3H6FNO2 and molecular weight is 107.08. What's more, its systematic name is 3-Fluoroalanine. Its storage temperature is room temperature. If it is used and stored as specification, it will not decompose and have no hazardous reaction. It should be sealed and stored in cool and dry places.

Physical properties of Alanine, 3-fluoro- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -3.09; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 21.16 cm3; (15)Molar Volume: 82.1 cm3; (16)Polarizability: 8.39×10-24 cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.302 g/cm3; (19)Flash Point: 115.2 °C; (20)Enthalpy of Vaporization: 55.58 kJ/mol; (21)Boiling Point: 266.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00242 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-amino-3-fluoro-propionic acid methyl ester at 100 °C. This reaction will need reagent 36% hydrochloric acid with the reaction time of 1 hour. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(=O)O)N)F
(2)Isomeric SMILES: C([C@@H](C(=O)O)N)F
(3)InChI: InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
(4)InChIKey: UYTSRQMXRROFPU-REOHCLBHSA-N