CAS No.10008-97-6,2-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10008-97-6
Name:	2-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID

Formula:	C₉H₆F₄O₃
Molecular Weight:	238.138
Synonyms:	Benzoicacid, m-(1,1,2,2-tetrafluoroethoxy)- (7CI,8CI);2-(1,1,2,2-Tetrafluoroethoxy)benzoic acid;
Density:	1.446 g/cm³
Boiling Point:	276.6 °C at 760 mmHg
Flash Point:	121.1 °C
Hazard Symbols:	C
Risk Codes:	C:Corrosive; "> C:Corrosive;
Safety:	26
PSA:	46.53000
LogP:	2.62150

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Specification

The Benzoic acid,2-(1,1,2,2-tetrafluoroethoxy)-, with its CAS registry number 10008-97-6, has the systematic name of 2-(1,1,2,2-tetrafluoroethoxy)benzoic acid. And it has the molecular formula of C₉H₆F₄O₃ and the molecular weight of 238.14. When you are dealing with it, you should be careful, as it is corrosive which may destroy living tissue on contact.

The characteristics of Benzoic acid,2-(1,1,2,2-tetrafluoroethoxy)- are as follows: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 45.07 cm³; (15)Molar Volume: 164.6 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.446 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 54.41 kJ/mol; (21)Boiling Point: 276.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00229 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:C(F)(Oc1ccccc1C(=O)O)C(F)F
(2)InChI:InChI=1/C9H6F4O3/c10-8(11)9(12,13)16-6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H,14,15)
(3)InChIKey:SKLLNTQHBPZMDI-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H,14,15)
(5)Std. InChIKey:SKLLNTQHBPZMDI-UHFFFAOYSA-N