CAS
12768-91-1 Purity
Technical grade
12768-91-1 Purity
Technical grade
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Specification
The molecular formula is C6H6Cl8O.
The molecular weight is 377.7 g/mol.
The IUPAC name is 1,1,1,2-tetrachloro-3-(2,3,3,3-tetrachloropropoxy)propane.
The InChI is InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2.
The InChIKey is LNJXZKBHJZAIKQ-UHFFFAOYSA-N.
The Canonical SMILES is C(C(C(Cl)(Cl)Cl)Cl)OCC(C(Cl)(Cl)Cl)Cl.
The CAS number is 127-90-2.
The European Community (EC) Number is 204-870-4.
Yes, Bis(2,3,3,3-tetrachloropropyl)ether is a canonicalized compound.