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Basic Information
CAS No.: 85187-22-0
Name: 2-(1,1,2,2-TETRAFLUOROETHOXY)BENZALDEHYDE
Molecular Structure:
Molecular Structure of 85187-22-0 (2-(1,1,2,2-TETRAFLUOROETHOXY)BENZALDEHYDE)
Formula: C9H6F4O2
Molecular Weight: 222.14
Synonyms: 2-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde;
EINECS: 286-110-1
Density: 1.355 g/cm3
Boiling Point: 234.6 °C at 760 mmHg
Flash Point: 93 °C
Hazard Symbols: ToxicT
PSA: 26.30000
LogP: 2.73580
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Specification

The Benzaldehyde,2-(1,1,2,2-tetrafluoroethoxy)- is an organic compound with the formula C9H6F4O2. The IUPAC name of this chemical is 2-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde. Its CAS registry number is 85187-22-0. In addition, the molecular weight is 222.14. Its EINECS number is 286-110-1. In addition, this chemical is toxicy and it can cause damage to health at low levels. It's classification code is Drug / Therapeutic Agent.

Physical properties about Benzaldehyde,2-(1,1,2,2-tetrafluoroethoxy)- are: (1)ACD/LogP: 2.98; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.95; (6)ACD/BCF (pH 7.4): 107.95; (7)ACD/KOC (pH 5.5): 993.08; (8)ACD/KOC (pH 7.4): 993.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 44.89 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 17.79×10-24 cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 93 °C; (20)Enthalpy of Vaporization: 47.13 kJ/mol; (21)Boiling Point: 234.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0525 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(Oc1ccccc1C=O)C(F)F
(2) InChI: InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-4-2-1-3-6(7)5-14/h1-5,8H
(3) InChIKey: XYNDDBJXUBHBOI-UHFFFAOYAH