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Name |
DL-3,5-Difluorophenylalanine |
EINECS | N/A |
CAS No. | 32133-37-2 | Density | 1.379 g/cm3 |
PSA | 63.32000 | LogP | 1.61950 |
Solubility | N/A | Melting Point |
269.5-273.5 °C(lit.) |
Formula | C9H9F2NO2 | Boiling Point | 295.1 °C at 760 mmHg |
Molecular Weight | 201.173 | Flash Point | 132.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Alanine,3-(3,5-difluorophenyl)-, DL- (8CI);3,5-Difluoro-DL-phenylalanine; |
Article Data | 1 |
The CAS register number of Phenylalanine,3,5-difluoro- is 32133-37-2. It also can be called as 3,5-difluorophenylalanine and the IUPAC name about this chemical is (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid. The molecular formula about this chemical is C9H9F2NO2 and the molecular weight is 201.17. It belongs to the following product categories which include Peptide Synthesis; Phenylalanine Derivatives; Unnatural Amino Acid Derivatives and so on.
Physical properties about Phenylalanine,3,5-difluoro- are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): -1.24; (3)ACD/LogD (pH 7.4): -1.26; (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: 132.3 °C; (18)Enthalpy of Vaporization: 56.48 kJ/mol; (19)Boiling Point: 295.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000704 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)CC(C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
(3)InChIKey: QFGMPXZFCIHYIR-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
(5)Std. InChIKey: QFGMPXZFCIHYIR-UHFFFAOYSA-N