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Name |
(R)-4-Fluorophenylglycine |
EINECS | 300-363-8 |
CAS No. | 93939-74-3 | Density | 1.347 g/cm3 |
PSA | 63.32000 | LogP | 1.61040 |
Solubility | N/A | Melting Point |
≥300 °C |
Formula | C8H8FNO2 | Boiling Point | 289.9 °C at 760 mmHg |
Molecular Weight | 169.155 | Flash Point | 129 °C |
Transport Information | N/A | Appearance | white to light yellow crystal powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzeneaceticacid, a-amino-4-fluoro-, (R)-;(R)-4-Fluorophenylglycine;4-Fluoro-D-a-phenylglycine;D-(-)-4-Fluorophenylglycine;D-(4-fluorophenyl)glycine;(R)-Amino-(4-fluoro-phenyl)-acetic acid; |
Article Data | 10 |
The Benzeneacetic acid, a-amino-4-fluoro-, (aR)-, with the CAS registry number 93939-74-3, is also known as (R)-4-Fluorophenylglycine. It belongs to the product categories of Pharmaceutical Raw Materials; Amino Acids Series; Chiral. Its EINECS number is 300-363-8. This chemical's molecular formula is C8H8FNO2 and formula weight is 169.15. What's more, its IUPAC name is (2R)-2-amino-2-(4-fluorophenyl)acetic acid. You should not breathe dust. When using it, you should avoid contact with skin and eyes.
Physical properties of Benzeneacetic acid, a-amino-4-fluoro-, (aR)- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.51; (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: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 40.89 cm3; (15)Molar Volume: 125.5 cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.347 g/cm3; (18)Flash Point: 129.1 °C; (19)Enthalpy of Vaporization: 55.89 kJ/mol; (20)Boiling Point: 289.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000988 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)N)F
(2)Isomeric SMILES: C1=CC(=CC=C1[C@H](C(=O)O)N)F
(3)InChI: InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1
(4)InChIKey: JKFYKCYQEWQPTM-SSDOTTSWSA-N