CAS No.142012-65-5,4-(Trifluoromethyl)-DL-phenylglycine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	142012-65-5
Name:	4-(Trifluoromethyl)-DL-phenylglycine
Article Data:	1

Formula:	C₉H₈F₃NO₂
Molecular Weight:	219.163
Synonyms:	Benzeneaceticacid, a-amino-4-(trifluoromethyl)-, (?à)-;
Density:	1.415g/cm³
Boiling Point:	297.2°C at 760mmHg
Flash Point:	133.6°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	63.32000
LogP:	2.49010

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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).