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Basic Information
CAS No.: 31105-91-6
Name: L-3,5-DIFLUOROPHE
Article Data: 4
Molecular Structure:
Molecular Structure of 31105-91-6 (L-3,5-DIFLUOROPHE)
Formula: C9H9 F2 N O2
Molecular Weight: 201.173
Synonyms: Alanine,3-(3,5-difluorophenyl)-, L- (8CI); (2S)-Amino-3-(3,5-difluorophenyl)propionicacid; (S)-3,5-Difluorophenylalanine; 3,5-Difluoro-L-phenylalanine
EINECS: 200-528-9
Density: 1.379 g/cm3
Boiling Point: 295.1 °C at 760 mmHg
Flash Point: 132.3 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 63.32000
LogP: 1.61950
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Chemistry

Systematic Name: 3,5-Difluoro-L-phenylalanine
Synonyms of 3,5-Difluoro-L-phenylalanine (CAS NO.31105-91-6): L-(3,5-Difluoro-phenyl)alanine ; 1(S)-2-Amino-3-(3,5-difluorophenyl)propanoic acid
CAS NO: 31105-91-6
Molecular Formula: C9H9F2NO2
Molecular Weight: 201.17
Molecular Structure:
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.536
Molar Refractivity: 45.48 cm3
Molar Volume: 145.8 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.379 g/cm3
Flash Point: 132.3 °C
Enthalpy of Vaporization: 56.48 kJ/mol
Boiling Point: 295.1 °C at 760 mmHg
Vapour Pressure: 0.000704 mmHg at 25°C
Storage temp: Store at 0-5°C
Product Categories of 3,5-Difluoro-L-phenylalanine (CAS NO.31105-91-6): Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids
SMILES: Fc1cc(cc(F)c1)C[C@@H](C(=O)O)N
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)/t8-/m0/s1
InChIKey: QFGMPXZFCIHYIR-QMMMGPOBBX
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)/t8-/m0/s1
Std. InChIKey: QFGMPXZFCIHYIR-QMMMGPOBSA-N