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Basic Information
CAS No.: 3200-96-2
Name: tetrachlorocyclobut-2-enone
Molecular Structure:
Molecular Structure of 3200-96-2 (tetrachlorocyclobut-2-enone)
Formula: C4Cl4 O
Molecular Weight: 205.855
Synonyms: 2-Cyclobuten-1-one,tetrachloro- (7CI); 2,3,4,4-Tetrachloro-2-cyclobuten-1-one; NSC 125696;Perchloro-2-cyclobuten-1-one; Perchlorocyclobut-2-enone;Perchlorocyclobutenone; Tetrachlorocyclobutenone
Density: 1.81g/cm3
Boiling Point: 176°C at 760 mmHg
Flash Point: 63.6°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Cl−.
PSA: 17.07000
LogP: 2.43220
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Chemistry

Molecule structure of Perchloro-2-cyclobutene-1-one (CAS NO.3200-96-2):

IUPAC Name: 2,3,4,4-Tetrachlorocyclobut-2-en-1-one 
Molecular Weight: 205.8542 g/mol
Molecular Formula: C4Cl4O 
Density: 1.81 g/cm3 
Boiling Point: 176 °C at 760 mmHg 
Flash Point: 63.6 °C
Index of Refraction: 1.575
Molar Refractivity: 37.42 cm3
Molar Volume: 113.2 cm3
Polarizability: 14.83×10-24 cm3
Surface Tension: 47.9 dyne/cm 
Enthalpy of Vaporization: 41.23 kJ/mol
Vapour Pressure: 1.12 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 1
Exact Mass: 205.867375
MonoIsotopic Mass: 203.870325
Topological Polar Surface Area: 17.1
Heavy Atom Count: 9
Complexity: 205
Canonical SMILES: C1(=C(C(C1=O)(Cl)Cl)Cl)Cl
InChI: InChI=1S/C4Cl4O/c5-1-2(6)4(7,8)3(1)9
InChIKey: NWDONRNKYCKRNT-UHFFFAOYSA-N
EINECS of Perchloro-2-cyclobutene-1-one (CAS NO.3200-96-2): 221-704-6

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Cl−.

Specification

 Perchloro-2-cyclobutene-1-one (CAS NO.3200-96-2) is also called BRN 1864941 ; NSC 125696 ; Perchloro-2-cyclobuten-1-one ; Perchlorocyclobut-2-enone ; Perchlorocyclobutenone ; Tetrachlorocyclobutenone ; 2-Cyclobuten-1-one, 2,3,4,4-tetrachloro- .