CAS No.31105-90-5,L-3,4-DIFLUOROPHENYLALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31105-90-5
Name:	L-3,4-DIFLUOROPHENYLALANINE
Article Data:	3

Formula:	C₉H₉F₂NO₂
Molecular Weight:	201.173
Synonyms:	Alanine,3-(3,4-difluorophenyl)-, L- (8CI);3,4-Difluoro-L-phenylalanine;
EINECS:	200-528-9
Density:	1.379 g/cm³
Boiling Point:	311.9 °C at 760 mmHg
Flash Point:	142.5 °C
Hazard Symbols:	Xi
PSA:	63.32000
LogP:	1.61950

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Specification

The L-Phenylalanine,3,4-difluoro-, with the CAS registry number 31105-90-5, is also known as L-3,4-Difluorophenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids. This chemical's molecular formula is C₉H₉F₂NO₂ and molecular weight is 201.17. What's more, its IUPAC name is (2S)-2-Amino-3-(3,4-difluorophenyl)propanoic acid and systematic name is called 3,4-Difluoro-L-phenylalanine.

Physical properties about L-Phenylalanine,3,4-difluoro- are: (1) ACD/LogP: 1.13; (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: 4; (10) Polar Surface Area: 29.54 Å²; (11) Index of Refraction: 1.536; (12) Molar Refractivity: 45.48 cm³; (13) Molar Volume: 145.8 cm³; (14) Surface Tension: 49.1 dyne/cm; (15) Density: 1.379 g/cm³; (16) Flash Point: 142.5 °C; (17) Enthalpy of Vaporization: 58.38 kJ/mol; (18) Boiling Point: 311.9 °C at 760 mmHg; (19) Vapour Pressure: 0.000234 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1F)C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
(3) InChIKey: PRAWYXDDKCVZTL-QMMMGPOBBZ