D-3-(Pentafluorophenyl)alanine supplier

Name
D-PENTAFLUOROPHE
EINECS
CAS No. 40332-58-9
Article Data2
CAS DataBase
Density 1.609 g/cm³
Solubility
Melting Point
Formula C₉H₆F₅NO₂
Boiling Point 286.3 °C at 760 mmHg
Molecular Weight 255.144
Flash Point 126.9 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms D-2,3,4,5,6-Pentafluorophenylalanine;D-Pentafluorophenylalanine;D-3-(Pentafluorophenyl)alanine;
PSA 63.32000
LogP 2.03680

D-3-(Pentafluorophenyl)alanine Specification

The CAS register number of D-3-(Pentafluorophenyl)alanine is 40332-58-9. It also can be called as D-Pentafluorophe and the systematic name about this chemical is (2R)-2-ammonio-3-(pentafluorophenyl)propanoate. The molecular formula about this chemical is C₉H₆F₅NO₂ and the molecular weight is 255.14. It belongs to the following product categories, such as Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-Amino and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about D-3-(Pentafluorophenyl)alanine are: (1)ACD/LogP: 1.30; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 37.3Å²; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 45.46 cm³; (12)Molar Volume: 158.4 cm³; (13)Polarizability: 18.02x10^-24cm³; (14)Surface Tension: 43.7 dyne/cm; (15)Enthalpy of Vaporization: 55.49 kJ/mol; (16)Boiling Point: 286.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)C[C@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1
(3)InChIKey: YYTDJPUFAVPHQA-GSVOUGTGBU
(4)Std. InChI: InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1
(5)Std. InChIKey: YYTDJPUFAVPHQA-GSVOUGTGSA-N

Product Name

D-PENTAFLUOROPHE

D-3-(Pentafluorophenyl)alanine Specification

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