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1691-17-4

Basic Information
CAS No.: 1691-17-4
Name: 1,1,3,3-TETRAFLUORODIMETHYL ETHER
Article Data: 2
Molecular Structure:
Molecular Structure of 1691-17-4 (1,1,3,3-TETRAFLUORODIMETHYL ETHER)
Formula: C2H2F4O
Molecular Weight: 118.031
Synonyms: Bis(difluoromethyl) ether;
Density: 1.304 g/cm3
Melting Point: -107 °C
Boiling Point: 4,7°C
Hazard Symbols: IrritantXi
Safety: 23-38
PSA: 9.23000
LogP: 1.44820
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Specification

The Methane,1,1'-oxybis[1,1-difluoro-, with the CAS registry number of 1691-17-4, is also known as Bis(difluoromethyl) ether. It belongs to the product category of Refrigerants. Its molecular formula is C2H2F4O and molecular weight is 118.03. What's more, its IUPAC name is Difluoromethoxy(difluoro)methane.

Physical properties about the Methane,1,1'-oxybis[1,1-difluoro- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.67; (8)ACD/KOC (pH 7.4): 35.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.237; (14)Molar Refractivity: 13.63 cm3; (15)Molar Volume: 90.4 cm3; (16)Surface Tension: 10.8 dyne/cm; (17)Density: 1.304 g/cm3; (18)Enthalpy of Vaporization: 21.12 kJ/mol; (19)Vapour Pressure: 5550 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should not breathe the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In addition, in case of insufficient ventilation wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)OC(F)F
(2) InChI: InChI=1/C2H2F4O/c3-1(4)7-2(5)6/h1-2H
(3) InChIKey: IOCGMLSHRBHNCM-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 9500ppm/4H (9500ppm) BEHAVIORAL: ATAXIA National Technical Information Service. Vol. OTS0554067,