Benzeneacetic acid, a-amino-2-fluoro- supplier

Name
(±)-amino(2-fluorophenyl)acetic acid
EINECS 282-253-9
CAS No. 84145-28-8
Article Data4
CAS DataBase
Density 1.347 g/cm³
Solubility
Melting Point 290oC (subl.)(lit.)
Formula C₈H₈FNO₂
Boiling Point 283.1 °C at 760 mmHg
Molecular Weight 169.155
Flash Point 125 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms amino(2-fluorophenyl)acetic acid;2-amino-2-(2-fluorophenyl)acetic acid;benzeneacetic acid, α-amino-2-fluoro-;
PSA 63.32000
LogP 1.61040

Benzeneacetic acid, a-amino-2-fluoro- Specification

The Benzeneacetic acid, a-amino-2-fluoro-, with the CAS registry number 84145-28-8 and EINECS registry number 282-253-9, has the systematic name of amino(2-fluorophenyl)acetic acid. It belongs to the following product categories: Pharmacetical; Peptide Synthesis; Phenylglycine Derivatives; Unnatural Amino Acid Derivatives. And the molecular formula of the chemical is C₈H₈FNO₂. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Benzeneacetic acid, a-amino-2-fluoro- are as followings: (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)Polarizability: 16.21×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.347 g/cm³; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 55.13 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1C(N)C(=O)O
(2)InChI: InChI=1/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: CGNMJIBUVDGMIY-UHFFFAOYAY

Product Name

(±)-amino(2-fluorophenyl)acetic acid

Benzeneacetic acid, a-amino-2-fluoro- Specification

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