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| CAS No.: | 32133-38-3 |
|---|---|
| Name: | 2,5-DIFLUORO-DL-PHENYLALANINE |
| Molecular Structure: | |
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| Formula: | C9H9F2NO2 |
| Molecular Weight: | 201.173 |
| Synonyms: | Alanine,3-(2,5-difluorophenyl)-, DL- (8CI);DL-Phenylalanine, 2,5-difluoro-;2,5-Difluoro-DL-phenylalanine; |
| Density: | 1.379 g/cm3 |
| Melting Point: | 252 °C |
| Boiling Point: | 304.2 °C at 760 mmHg |
| Flash Point: | 137.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 36 |
| PSA: | 63.32000 |
| LogP: | 1.61950 |
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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