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Phenylalanine,2,5-difluoro-

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Name

Phenylalanine,2,5-difluoro-

EINECS N/A
CAS No. 32133-38-3 Density 1.379 g/cm3
PSA 63.32000 LogP 1.61950
Solubility N/A Melting Point 252 °C
Formula C9H9F2NO2 Boiling Point 304.2 °C at 760 mmHg
Molecular Weight 201.173 Flash Point 137.8 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32133-38-3 (2,5-DIFLUORO-DL-PHENYLALANINE) Hazard Symbols IrritantXi
Synonyms

Alanine,3-(2,5-difluorophenyl)-, DL- (8CI);DL-Phenylalanine, 2,5-difluoro-;2,5-Difluoro-DL-phenylalanine;

 

Phenylalanine,2,5-difluoro- Specification

The CAS register number of Phenylalanine,2,5-difluoro- is 32133-38-3. It also can be called as 2,5-difluorophenylalanine and the IUPAC name about this chemical is 2-amino-3-(2,5-difluorophenyl)propanoic acid. The molecular formula about this chemical is C9H9F2NO2 and the molecular weight is 201.17. This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

Physical properties about Phenylalanine,2,5-difluoro- are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 45.48 cm3; (14)Molar Volume: 145.8 cm3; (15)Polarizability: 18.03x10-24cm3; (16)Surface Tension: 49.1 dyne/cm; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 57.5 kJ/mol; (19)Boiling Point: 304.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00039 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(F)cc1CC(C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(3)InChIKey: YHYQITHAFYELNW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(5)Std. InChIKey: YHYQITHAFYELNW-UHFFFAOYSA-N

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