L-Phenylalanine,2,4-difluoro- supplier

Name
2,4-DIFLUORO-L-PHENYLALANINE
EINECS
CAS No. 31105-93-8
Article Data1
CAS DataBase
Density 1.379 g/cm³
Solubility
Melting Point
Formula C₉H₉F₂NO₂
Boiling Point 306.1 °C at 760 mmHg
Molecular Weight 201.173
Flash Point 138.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,3-(2,4-difluorophenyl)-, L- (8CI);2,4-Difluoro-L-phenylalanine;
PSA 63.32000
LogP 1.61950

L-Phenylalanine,2,4-difluoro- Specification

The L-Phenylalanine,2,4-difluoro-, with CAS registry number 31105-93-8, has the systematic name of (2S)-2-ammonio-3-(2,4-difluorophenyl)propanoate. Besides this, it is also called 2,4-Difluoro-L-Phenylalanine. And the chemical formula of this chemical is C₉H₉F₂NO₂.

Physical properties of L-Phenylalanine,2,4-difluoro-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -1.27; (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: 4; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.48 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 18.03×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.379 g/cm³; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 57.71 kJ/mol; (21)Boiling Point: 306.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000344 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)ccc1C[C@@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
(3)InChIKey: UEFLPVKMPDEMFW-QMMMGPOBBH
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey: UEFLPVKMPDEMFW-QMMMGPOBSA-N

Product Name

2,4-DIFLUORO-L-PHENYLALANINE

L-Phenylalanine,2,4-difluoro- Specification

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