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Benzeneacetic acid, a-amino-3-(trifluoromethyl)-

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Name

Benzeneacetic acid, a-amino-3-(trifluoromethyl)-

EINECS N/A
CAS No. 242475-26-9 Density 1.415 g/cm3
PSA 63.32000 LogP 2.49010
Solubility N/A Melting Point N/A
Formula C9H8F3NO2 Boiling Point 274 °C at 760 mmHg
Molecular Weight 219.163 Flash Point 119.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 242475-26-9 (AMINO-(3-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID) Hazard Symbols IrritantXi
Synonyms

amino[3-(trifluoromethyl)phenyl]acetic acid;Benzeneacetic acid, α-amino-3-(trifluoromethyl)-;

Article Data 1

Benzeneacetic acid, a-amino-3-(trifluoromethyl)- 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

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