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4-(Trifluoromethylthio)phenylaceticacid

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Name

4-(Trifluoromethylthio)phenylaceticacid

EINECS N/A
CAS No. 243977-23-3 Density 1.44 g/cm3
PSA 62.60000 LogP 2.92560
Solubility N/A Melting Point 114-118 °C(lit.)
Formula C9H7F3O2S Boiling Point 252.2 °C at 760 mmHg
Molecular Weight 236.215 Flash Point 106.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 243977-23-3 (4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID) Hazard Symbols IrritantXi
Synonyms

4-(Trifluoromethylsulfanyl)phenylaceticacid;4-(Trifluoromethylthio)phenylacetic acid;

 

4-(Trifluoromethylthio)phenylaceticacid Specification

The Benzeneacetic acid,4-[(trifluoromethyl)thio]-, with the CAS registry number 243977-23-3, is also known as 4-(Trifluoromethylthio)phenylacetic acid. It belongs to the product category of Phenylacetic Acid. This chemical's molecular formula is C9H7F3O2S and molecular weight is 236.21089. Its IUPAC name is called 2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid. 

Physical properties of Benzeneacetic acid,4-[(trifluoromethyl)thio]-: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.31; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 50.66 cm3; (13)Molar Volume: 163.7 cm3; (14)Surface Tension: 43.4 dyne/cm; (15)Density: 1.44 g/cm3; (16)Flash Point: 106.3 °C; (17)Enthalpy of Vaporization: 51.73 kJ/mol; (18)Boiling Point: 252.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0102 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)O)SC(F)(F)F
(2)InChI: InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
(3)InChIKey: BFDKCZMYQOSTJG-UHFFFAOYSA-N

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