CAS No.240490-00-0,AMINO-(2-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	240490-00-0
Name:	AMINO-(2-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID

Formula:	C₉H₈F₃NO₂
Molecular Weight:	219.163
Synonyms:	2-(Trifluoromethyl)-DL-phenylglycine;Amino[2-(trifluoromethyl)phenyl]acetic acid;2-amino-2-(2-(trifluoromethyl)phenyl)acetic acid;
Density:	1.416 g/cm³
Melting Point:	253 °C
Boiling Point:	288.38 °C at 760 mmHg
Flash Point:	128.208 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	63.32000
LogP:	2.49010

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Specification

The Benzeneacetic acid, α-amino-2-(trifluoromethyl)-, with the CAS registry number 240490-00-0, is also known as 2-(Trifluoromethyl)phenylglycine. This chemical's molecular formula is C₉H₈F₃NO₂ and formula weight is 185.61. What's more, its IUPAC name is 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid.

Physical properties of Benzeneacetic acid, α-amino-2-(trifluoromethyl)- 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: 29.54 Å²; (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: 128.2 °C; (19)Enthalpy of Vaporization: 55.72 kJ/mol; (20)Boiling Point: 288.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00109 mmHg at 25°.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(C(=O)O)N)C(F)(F)F
(2)InChI: InChI=1S/C9H8F3NO2/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
(3)InChIKey: WSMXFJGWNKBPHC-UHFFFAOYSA-N