3,4-Difluoro-D-phenylalanine supplier

Name
3,4-Difluoro-D-phenylalanine
EINECS
CAS No. 249648-08-6
Article Data6
CAS DataBase
Density 1.379 g/cm³
Solubility
Melting Point
Formula C₉H₉F₂NO₂
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 201.173
Flash Point 142.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Difluoro-D-phenylalanine;
PSA 63.32000
LogP 1.61950

3,4-Difluoro-D-phenylalanine Specification

The 3,4-Difluoro-D-phenylalanine is an organic compound with the formula C₉H₉F₂NO₂. The systematic name of this chemical is 3,4-difluorophenylalanine. With the CAS registry number 249648-08-6, it is also named as Phenylalanine, 3,4-difluoro-. The product's category is Amino Acids. Additionally, this chemical should be stored at the temperature of 0-5 °C.

The other characteristics of 3,4-Difluoro-D-phenylalanine can be summarized as: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.38; (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: 1.536; (14)Molar Refractivity: 45.48 cm³; (15)Molar Volume: 145.8 cm³; (16)Surface Tension: 49.1 dyne/cm; (17)Density: 1.379 g/cm³; (18)Flash Point: 142.5 °C; (19)Enthalpy of Vaporization: 58.38 kJ/mol; (20)Boiling Point: 311.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000234 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1F)CC(C(=O)O)N
2. InChI:InChI=1/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
3. InChIKey:PRAWYXDDKCVZTL-UHFFFAOYAI
4. Std. InChI:InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
5. Std. InChIKey:PRAWYXDDKCVZTL-UHFFFAOYSA-N

Product Name

3,4-Difluoro-D-phenylalanine

3,4-Difluoro-D-phenylalanine Specification

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