CAS No.3821-81-6,DL-2-FLUORO-3-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3821-81-6
Name:	DL-2-FLUORO-3-ALANINE
Article Data:	3

Formula:	C₃H₆FNO₂
Molecular Weight:	107.085
Synonyms:	b-Alanine, 2-fluoro-(6CI,7CI,8CI);2-Fluoro-b-alanine;Fluoro-b-alanine;a-Fluoro-b-alanine;
EINECS:	223-318-3
Density:	1.302 g/cm³
Melting Point:	222 °C
Boiling Point:	264.5 °C at 760 mmHg
Flash Point:	113.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	63.32000
LogP:	0.06810

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Specification

The CAS registry number of Propanoic acid,3-amino-2-fluoro- is 3821-81-6. This chemical is also named as alpha-Fluoro-beta-alanine. Its EINECS registry number is 223-318-3. In addition, its molecular formula is C₃H₆FNO₂ and molecular weight is 107.08. Its systematic name and IUPAC name are the same which is called 3-amino-2-fluoropropanoic acid.

Physical properties about Propanoic acid,3-amino-2-fluoro- are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -3.64; (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)Index of Refraction: 1.428; (13)Molar Refractivity: 21.16 cm³; (14)Molar Volume: 82.1 cm³; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.302 g/cm³; (17)Flash Point: 113.8 °C; (18)Enthalpy of Vaporization: 55.3 kJ/mol; (19)Boiling Point: 264.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00282 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. 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)CN
(2)InChI: InChI=1/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)
(3)InChIKey: OJQNRNQELNLWHH-UHFFFAOYAM