CAS No.242475-26-9,AMINO-(3-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	242475-26-9
Name:	AMINO-(3-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID
Article Data:	1

Formula:	C₉H₈F₃NO₂
Molecular Weight:	219.163
Synonyms:	amino[3-(trifluoromethyl)phenyl]acetic acid;Benzeneacetic acid, α-amino-3-(trifluoromethyl)-;
Density:	1.415 g/cm³
Boiling Point:	274 °C at 760 mmHg
Flash Point:	119.5 °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, a-amino-3-(trifluoromethyl)-, with the CAS registry number 242475-26-9, has the systematic name of amino[3-(trifluoromethyl)phenyl]acetic acid. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C₉H₈F₃NO₂.

The physical properties of Benzeneacetic acid, a-amino-3-(trifluoromethyl)- are as following: (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)Polarizability: 18.19×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.415 g/cm³; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 274 °C at 760 mmHg; (22)Vapour Pressure: 0.0027 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, 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)c1cccc(c1)C(C(=O)O)N
(2)InChI: InChI=1/C9H8F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
(3)InChIKey: SRHNOGZIXICHOU-UHFFFAOYAT