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4-(Trifluoromethyl)-DL-phenylglycine

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Name

4-(Trifluoromethyl)-DL-phenylglycine

EINECS N/A
CAS No. 142012-65-5 Density 1.415g/cm3
PSA 63.32000 LogP 2.49010
Solubility N/A Melting Point N/A
Formula C9H8F3NO2 Boiling Point 297.2°C at 760mmHg
Molecular Weight 219.163 Flash Point 133.6°C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 142012-65-5 (4-(Trifluoromethyl)-DL-phenylglycine) Hazard Symbols IrritantXi
Synonyms

Benzeneaceticacid, a-amino-4-(trifluoromethyl)-, (?à)-;

Article Data 1

4-(Trifluoromethyl)-DL-phenylglycine Specification

The cas register number of 4-(Trifluoromethyl)-DL-phenylglycine is 142012-65-5. It also can be called as Benzeneacetic acid, alpha-amino-4-(trifluoromethyl)- and the Systematic name about this chemical is amino[4-(trifluoromethyl)phenyl]acetic acid.

Physical properties about 4-(Trifluoromethyl)-DL-phenylglycine are: (1)ACD/LogP: 1.51 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.99 ; (4)ACD/LogD (pH 7.4): -0.99 ; (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: 29.54Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 45.88 cm3; (15)Molar Volume: 154.8 cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.415 g/cm3; (18)Flash Point: 133.6 °C; (19)Enthalpy of Vaporization: 56.72 kJ/mol; (20)Boiling Point: 297.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000614 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If people with it in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And people must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)c1ccc(cc1)C(C(=O)O)N
2.InChI: InChI=1/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15) 
3.InChIKey: FANMQHUKZBBELZ-UHFFFAOYAF
4.Std. InChI: InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15).

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