Benzoic acid,2-(1,1,2,2-tetrafluoroethoxy)- supplier

Name
2-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID
EINECS
CAS No. 10008-97-6
Density 1.446 g/cm³
Solubility
Melting Point
Formula C₉H₆F₄O₃
Boiling Point 276.6 °C at 760 mmHg
Molecular Weight 238.138
Flash Point 121.1 °C
Transport Information
Appearance
Safety 26
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms Benzoicacid, m-(1,1,2,2-tetrafluoroethoxy)- (7CI,8CI);2-(1,1,2,2-Tetrafluoroethoxy)benzoic acid;
PSA 46.53000
LogP 2.62150

Benzoic acid,2-(1,1,2,2-tetrafluoroethoxy)- 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

Product Name

2-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID

Benzoic acid,2-(1,1,2,2-tetrafluoroethoxy)- Specification

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