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L-Pentafluorophenylalanine

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Name

L-Pentafluorophenylalanine

EINECS N/A
CAS No. 34702-59-5 Density 1.609 g/cm3
PSA 40.54000 LogP 2.59980
Solubility Practically insoluble in water Melting Point 254-257℃
Formula C9H6F5NO2 Boiling Point 286.3 °C at 760 mmHg
Molecular Weight 255.144 Flash Point 126.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34702-59-5 (L-PENTAFLUOROPHE) Hazard Symbols Xi
Synonyms

L-2,3,4,5,6-Pentafluorophenylalanine;

Article Data 12

L-Pentafluorophenylalanine Specification

The L-Pentafluorophe, with the CAS registry number 34702-59-5, is also known as L-2,3,4,5,6-Pentafluorophenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives and A-amino. This chemical's molecular formula is C9H6F5NO2 and molecular weight is 255.14. What's more, its IUPAC name is (2S)-2-Amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid and systematic name is called 2,3,4,5,6-Pentafluoro-L-phenylalanine.

Physical properties about L-Pentafluorophe are: (1) ACD/LogP: 1.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.19; (4) ACD/LogD (pH 7.4): -1.33; (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: 1.485; (14) Molar Refractivity: 45.46 cm3; (15) Molar Volume: 158.4 cm3; (16) Surface Tension: 43.7 dyne/cm; (17) Density: 1.609 g/cm3; (18) Flash Point: 126.9 °C; (19) Enthalpy of Vaporization: 55.49 kJ/mol; (20) Boiling Point: 286.3 °C at 760 mmHg; (21) Vapour Pressure: 0.00124 mmHg at 25 °C. 

When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

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)N
(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-/m0/s1
(3) InChIKey: YYTDJPUFAVPHQA-VKHMYHEABZ

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