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| CAS No.: | 2629-54-1 |
|---|---|
| Name: | 3-FLUORO-D-PHENYLALANINE |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C9H10FNO2 |
| Molecular Weight: | 183.18 |
| Synonyms: | 查看更多英文别名"> DL-3-Fluoro-phe-OH;M-FLUORO-D-PHENYLALANINE;RARECHEM BK PT 0028;DL-3-Fluorophenylalanine;D-3-FLUOROPHE;H-M-FLUORO-D-PHE-OH;3-FLUORO-D-PHE;D-3-FLUOROPHENYLALANINE;查看更多英文别名 |
| EINECS: | 220-104-1 |
| Density: | 1.293g/cm3 |
| Melting Point: | ~240 °C (dec.) |
| Boiling Point: | 305 °C at 760 mmHg |
| Flash Point: | 138.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37 |
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 1.48040 |
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Specification
The DL-3-Fluorophenylalanine, with CAS registry number 2629-54-1, belongs to the following product categories: (1)Phenylalanine analogs and other aromatic alpha amino acids; (2)Non-natural amino acids. It has the systematic name of 3-fluorophenylalanine. This chemical is a kind of white to off-white amorphous powder. What's more, its EINECS is 220-104-1.
Physical properties of DL-3-Fluorophenylalanine: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.34; (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: 1.555; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Enthalpy of Vaporization: 57.6 kJ/mol; (19)Vapour Pressure: 0.000369 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce Boc-DL-m-FPhe. This reaction will need reagent Et3N and solvents H2O, dioxane. The reaction time is 2.5 hour(s). The yield is about 68%.
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When you are using this chemical, please be cautious about it as the following:
The DL-3-Fluorophenylalanine irritates to respiratory system. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CC(C(=O)O)N
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: VWHRYODZTDMVSS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: VWHRYODZTDMVSS-UHFFFAOYSA-N