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DL-3,5-Difluorophenylalanine

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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 Molecular Structure of 32133-37-2 (DL-3,5-DIFLUOROPHENYLALANINE) Hazard Symbols IrritantXi
Synonyms

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

Article Data 1

DL-3,5-Difluorophenylalanine Specification

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

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