2-Chloro-D-phenylalanine supplier

Name
2-Chloro-D-phenylalanine
EINECS
CAS No. 80126-50-7
Article Data31
CAS DataBase
Density 1.336 g/cm³
Solubility
Melting Point 211-213 °C
Formula C₉H₁₀ClNO₂
Boiling Point 339.5 °C at 760 mmHg
Molecular Weight 199.637
Flash Point 159.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms D-2-Chlorophenylalanine;H-D-Phe(2-Cl)-OH;2-Chloro-D-Phe-OH.HCl;(2R)-2-ammonio-3-(2-chlorophenyl)propanoate;2-Chlor-D-phenylalanin;D-phenylalanine, 2-chloro-;
PSA 63.32000
LogP 1.99470

2-Chloro-D-phenylalanine Specification

The D-2-Chlorophenylalanine, with the CAS registry number 80126-50-7, has the systematic name of (2R)-2-ammonio-3-(2-chlorophenyl)propanoate. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Amino hydrochloride; Peptide; α-amino. And the molecular formula of this chemical is C₉H₁₀ClNO₂. What's more, it should be stored at 0°C.

The physical properties of D-2-Chlorophenylalanine are as following: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 50.38 cm³; (13)Molar Volume: 149.3 cm³; (14)Polarizability: 19.97×10^-24cm³; (15)Surface Tension: 55.4 dyne/cm; (16)Density: 1.336 g/cm³; (17)Flash Point: 159.1 °C; (18)Enthalpy of Vaporization: 61.53 kJ/mol; (19)Boiling Point: 339.5 °C at 760 mmHg; (20)Vapour Pressure: 3.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C[C@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: CVZZNRXMDCOHBG-MRVPVSSYBV

Product Name

2-Chloro-D-phenylalanine

2-Chloro-D-phenylalanine Specification

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