697-17-6

Basic information

• Product Name: 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE
• Synonyms: 2,3,3-TRIFLUORO-1,1,2-TRICHLORO CYCLOBUTANE;1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE;Cyclobutane, 1,1,2-trichloro-2,3,3-trifluoro-;1,1,2-Trichloro-2,3,3-trifluorocyclobutane 97%;1,1,2-Trichloro-2,3,3-trifluorocyclobutane97%;1,1,2-Trifluoro-2,3,3-trichlorocyclobutane;1,2,2-Trifluoro-1,4,4-trichlorocyclobutane
• CAS NO: 697-17-6
• Molecular Formula: C₄H₂Cl₃F₃
• Molecular Weight: 213.41
• EINECS: 211-804-8
• Mol File: 697-17-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 120 °C(lit.)
• Flash Point: 119-120°C
• Appearance: /
• Density: 1.594 g/mL at 25 °C(lit.)
• Vapor Pressure: 12.4mmHg at 25°C
• Refractive Index: n20/D 1.416(lit.)
• BRN: 1905850
• CAS DataBase Reference: 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE(697-17-6)
• EPA Substance Registry System: 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE(697-17-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37
• Safety Statements: 26-36
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 697-17-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to pale yellow liquid

InChI:InChI=1/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2

Upstream product

• 75-35-4 1,1-Dichloroethylene 
• 79-38-9 Chlorotrifluoroethylene 
• 123-31-9 hydroquinone 
• 694-62-2 1-chloro-2,3,3,-trifluorocyclobutene 

Downstream Products

• 694-62-2 1-chloro-2,3,3,-trifluorocyclobutene 
• 2927-72-2 1,4-dichloro-3,3,4-trifluorocyclobutene 

Relevant articles and documents

Molecular structure of 3,4-difluorofuran-2,5-dione (difluoromaleic anhydride) as determined by electron diffraction and microwave spectroscopy in the gas phase and by theoretical computations

The structure of 3,4-difluorofuran-2,5-dione has been determined experimentally in the gas phase by microwave spectroscopy using rotation constants derived from five isotopomers and by a combined analysis of electrondiffraction and microwave data. The geometry is planar with C2v symmetry. Structural parameters [distances (rαo)/pm, angles a/deg, (1α errors)] for the combined analysis are: r(C=O) = 119.0(1); r(C-F) = 130.9(2); r(C=C) = 133.2(3); r(O-C) = 139.3(1); KC-C) = 148.5(2); C-C=C = 108.3(1); ZC=C-F = 129.9-(1); C-C=O = 129.3(1); C-O-C = 108.9(1); O-C-C = 107.2(1). These values are in excellent agreement with those obtained in an ab initio study of the molecular geometry at the MP2/6-311+G (2df) level of theory. The dipole moment of difluoromaleic anhydride has been determined experimentally by Starkeffect measurements to be 1.867(3) D.