Phenoltetrachlorophthalein

4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

CAS: 639-44-1

Molecular Formula	`C20H10Cl4O4`
Molecular Weight	456.1 g/mol
LogP	6.3
Topological Polar Surface Area	66.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	455.93036
Heavy Atoms	28
Complexity	567.0

Chemical Identifiers

CAS Number	639-44-1
SMILES	`C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=CC=C(C=C4)O)O`
InChIKey	`NPARLLRHBQQQDY-UHFFFAOYSA-N`

📖 Product Overview

Phenoltetrachlorophthalein (CAS: 639-44-1) is a chemical compound with molecular formula C20H10Cl4O4 and molecular weight 456.1 g/mol. Its IUPAC systematic name is 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one. LogP 6.3 Topological Polar Surface Area 66.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 455.93036 Heavy Atoms 28 Complexity 567.0 InChI Key: NPARLLRHBQQQDY-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=CC=C(C=C4)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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