CAS No.70126-48-6,3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70126-48-6
Name:	3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID
Article Data:	1

Formula:	C₉H₆F₄O₃
Molecular Weight:	238.138
Synonyms:	3-(1,1,2,2-Tetrafluoroethoxy)benzoicacid;3-(1,1,2,2-Tetrafluoro-ethoxy)-benzoic acid;
Density:	1.446 g/cm³
Melting Point:	122-126 °C(lit.)
Boiling Point:	288.4 °C at 760 mmHg
Flash Point:	128.2 °C
Hazard Symbols:	C,Xi
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	3261
PSA:	46.53000
LogP:	2.62150

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Specification

The CAS register number of Benzoic acid,3-(1,1,2,2-tetrafluoroethoxy)- is 70126-48-6. It also can be called as 3-(1,1,2,2-Tetrafluoro-ethoxy)-benzoic acid and the IUPAC name about this chemical is 3-(1,1,2,2-tetrafluoroethoxy)benzoic acid. The molecular formula about this chemical is C₉H₆F₄O₃ and the molecular weight is 238.14. It belongs to the following product categories which include C9; Carbonyl Compounds; Carboxylic Acids and so on. This chemical is an important intermediate in organic synthesis, it is mainly used as pharmaceutical intermediates, organic synthesis, organic solvents, it can also be used in dye production, pesticide production and spices, etc.

Physical properties about Benzoic acid,3-(1,1,2,2-tetrafluoroethoxy)- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 4.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.73; (7)ACD/KOC (pH 7.4): 1.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53Å²; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 45.07 cm³; (14)Molar Volume: 164.6 cm³; (15)Polarizability: 17.86x10^-24cm³; (16)Surface Tension: 33.5 dyne/cm; (17)Enthalpy of Vaporization: 55.72 kJ/mol; (18)Boiling Point: 288.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00109 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are 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 and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Oc1cc(ccc1)C(=O)O)C(F)F
(2)InChI: InChI=1/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15)
(3)InChIKey: KXSUHQSIHGQDQV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15)
(5)Std. InChIKey: KXSUHQSIHGQDQV-UHFFFAOYSA-N