CAS No.431-72-1,Trifluoropyruvic acid, monohydrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	431-72-1
Name:	Trifluoropyruvic acid, monohydrate
Article Data:	13

Formula:	C₃H₃F₃O₄
Molecular Weight:	142.034
Synonyms:	1,1,1-Trifluoro-3,3,3-trihydroxyacetone;
Density:	1.902 g/cm³
Melting Point:	122-125 °C
Boiling Point:	114.6 °C at 760 mmHg
Flash Point:	23.1 °C
Hazard Symbols:	C, Xi
Risk Codes:	34
Safety:	26-36/37/39
Transport Information:	UN 3261
PSA:	77.76000
LogP:	-1.25150

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Specification

The Trifluoropyruvic acid, monohydrate, with the CAS registry number of 431-72-1, is also known as 1, 1, 1-Trifluoro-3, 3, 3-trihydroxyacetone. This chemical's molecular formula is C₃H₃F₃O₄ and molecular weight is 160.0487. What's more, its systematic name is called 1, 1, 1-Trifluoro-3, 3, 3-trihydroxypropan-2-one.

Physical properties about Propanoic acid, 3, 3, 3-trifluoro-2-oxo- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 60.98; (6)ACD/BCF (pH 7.4): 10.64; (7)ACD/KOC (pH 5.5): 648.32; (8)ACD/KOC (pH 7.4): 113.16; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 21 cm³; (15)Molar Volume: 84.1 cm³; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.902 g/cm³; (18)Flash Point: 23.1 °C; (19)Enthalpy of Vaporization: 41.15 kJ/mol; (20)Boiling Point: 114.6 °C at 760 mmHg; (21)Vapour Pressure: 10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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)C(=O)C(O)(O)O
(2) InChI: InChI=1/C3H3F3O4/c4-2(5,6)1(7)3(8,9)10/h8-10H
(3) InChIKey: PAAGNFWOLAEESZ-UHFFFAOYAG