Name: 3-(TRIFLUOROMETHOXY)-DL-PHENYLGLYCINE
SKU: 261952-23-2

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Basic Information

Molecular Structure:
CAS No.:	261952-23-2
Name:	3-(TRIFLUOROMETHOXY)-DL-PHENYLGLYCINE

Formula:	C₉H₈F₃NO₃
Molecular Weight:	235.16
Synonyms:	amino[3-(trifluoromethoxy)phenyl]acetic acid;2-Amino-2-[3-(trifluoromethoxy)phenyl]acetic acid;3-(Trifluoromethoxy)-DL-phenylglycine;3-(Trifluoromethoxy)phenylglycine;Amino[3-(trifluoromethoxy)phenyl]acetic acid;Benzeneacetic acid, α-amino-3-(trifluoromethoxy)-;α-Amino-3-(trifluoromethoxy)benzeneacetic acid;
Density:	1.454 g/cm³
Boiling Point:	288.2 °C at 760 mmHg
Flash Point:	128.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	72.55000
LogP:	2.36990

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Specification

The Benzeneacetic acid, a-amino-3-(trifluoromethoxy)-, with the CAS registry number 261952-23-2, has the systematic name of amino[3-(trifluoromethoxy)phenyl]acetic acid. And the molecular formula of this chemical is C₉H₈F₃NO₃. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid, a-amino-3-(trifluoromethoxy)- are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 48.04 cm³; (15)Molar Volume: 161.6 cm³; (16)Polarizability: 19.04×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.454 g/cm³; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 55.7 kJ/mol; (21)Boiling Point: 288.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0011 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: FC(F)(F)Oc1cc(ccc1)C(C(=O)O)N
(2)InChI: InChI=1/C9H8F3NO3/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
(3)InChIKey: JSRHISPHWIGFLQ-UHFFFAOYAS