3',6'-Dihydroxy-5-Isothiocyanato-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One Hydrochloride (1:1)
[CAS# 63469-13-6]

Identification

• Name: 3',6'-Dihydroxy-5-Isothiocyanato-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One Hydrochloride (1:1)
• Synonyms: 3',6'-Dihydroxy-6-Isothiocyanato-Spiro[Isobenzofuran-3,9'-Xanthene]-1-One Hydrochloride; 3',6'-Dihydroxy-6-Isothiocyanato-1-Spiro[Isobenzofuran-3,9'-Xanthene]One Hydrochloride; 3',6'-Dihydroxy-6-Isothiocyanato-Spiro[2-Benzofuran-3,9'-Xanthene]-1-One Hydrochloride
• Molecular Formula: C₂₁H₁₂ClNO₅S
• Molecular Weight: 425.84
• CAS Registry Number: 63469-13-6
• EINECS: 264-260-9
• SMILES: S=C=NC1=CC5=C(C=C1)C3(C2=C(C=C(C=C2)O)OC4=C3C=CC(=C4)O)OC5=O.[H+].[Cl-]
• InChI: 1S/C21H11NO5S.ClH/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21;/h1-9,23-24H;1H
• InChIKey: VEOKINNSACYXAM-UHFFFAOYSA-N

Properties

• Boiling point: 708.6°C at 760 mmHg (Cal.)
• Flash point: 382.4°C (Cal.)