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Benzaldehyde,2-(1,1,2,2-tetrafluoroethoxy)-

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Name

Benzaldehyde,2-(1,1,2,2-tetrafluoroethoxy)-

EINECS 286-110-1
CAS No. 85187-22-0 Density 1.355 g/cm3
PSA 26.30000 LogP 2.73580
Solubility N/A Melting Point N/A
Formula C9H6F4O2 Boiling Point 234.6 °C at 760 mmHg
Molecular Weight 222.14 Flash Point 93 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85187-22-0 (2-(1,1,2,2-TETRAFLUOROETHOXY)BENZALDEHYDE) Hazard Symbols ToxicT
Synonyms

2-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde;

 

Benzaldehyde,2-(1,1,2,2-tetrafluoroethoxy)- 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

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