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| CAS No.: | 32133-39-4 |
|---|---|
| Name: | DL-2,6-DIFLUOROPHENYLALANINE |
| Molecular Structure: | |
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| Formula: | C9H9F2NO2 |
| Molecular Weight: | 201.17 |
| Synonyms: | Alanine,3-(2,6-difluorophenyl)-, DL- (8CI);DL-Phenylalanine, 2,6-difluoro-;2,6-Difluoro-DL-phenylalanine;2,6-Difluorophenylalanine;Phenylalanine, 2,6-difluoro-; |
| Density: | 1.379 g/cm3 |
| Melting Point: | 256-257oC |
| Boiling Point: | 301.1 °C at 760 mmHg |
| Flash Point: | 135.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 36 |
| PSA: | 63.32000 |
| LogP: | 1.61950 |
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Specification
The Phenylalanine,2,6-difluoro-, with the CAS registry number 32133-39-4, has the systematic name of 2,6-difluorophenylalanine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H9F2NO2.
The characteristics of Phenylalanine,2,6-difluoro- are as followings: (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): -1.31; (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: 29.54 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: 135.9 °C; (20)Enthalpy of Vaporization: 57.15 kJ/mol; (21)Boiling Point: 301.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000478 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better wear suitable protective clothing.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(F)c1CC(C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(3)InChIKey: RFOVYDPRGDZBLJ-UHFFFAOYAW