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CAS No.: | 7292-74-2 |
---|---|
Name: | AMINO-(3-FLUORO-PHENYL)-ACETIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8FNO2 |
Molecular Weight: | 169.155 |
Synonyms: | Benzeneaceticacid, a-amino-3-fluoro-, (?à)-;Glycine, 2-(m-fluorophenyl)-,DL- (8CI);3-Fluorophenylglycine;DL-a-Amino-3-fluorophenylacetic acid;NSC 101465; |
Density: | 1.347 g/cm3 |
Melting Point: | >250 °C |
Boiling Point: | 286.5 °C at 760 mmHg |
Flash Point: | 127.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 63.32000 |
LogP: | 1.61040 |
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This chemical is called Benzeneacetic acid, α-amino-3-fluoro-, and its systematic name is amino(3-fluorophenyl)acetic acid. With the molecular formula of C8H8FNO2, its molecular weight is 169.15. The CAS registry number of this chemical is 7292-74-2. Additionally, its product category is Pharmacetical.
Other characteristics of the Benzeneacetic acid, α-amino-3-fluoro- can be summarised as followings: (1)ACD/LogP: 0.99; (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: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 40.89 cm3; (13)Molar Volume: 125.5 cm3; (14)Polarizability: 16.21×10-24cm3; (15)Surface Tension: 54.1 dyne/cm; (16)Density: 1.347 g/cm3; (17)Flash Point: 127.1 °C; (18)Enthalpy of Vaporization: 55.51 kJ/mol; (19)Boiling Point: 286.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00123 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(ccc1)C(N)C(=O)O
2.InChI: InChI=1/C8H8FNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
3.InChIKey: LVYBCZIDQKJNFP-UHFFFAOYAI