Rose Bengal

Catalog Number

ACM632699-3

CAS

632-69-9

Structure

Synonyms

Xantryl, Acid red 94, Rose bengal disodium salt

IUPAC Name

disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

Molecular Weight

1017.6

Molecular Formula

C20H2Cl4I4Na2O5

Canonical SMILES

C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]

InChI

InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2

InChI Key

KCQREHTWEUECQT-UHFFFAOYSA-L

Melting Point

>300 °C

Purity

98%+

Solubility

Soluble in H2O

Appearance

Dark red to Brown powder to crystal

Storage

Room temperature

pKa

3.9, 4.7 (at 25 °C)

• Catalog Number: ACM632699-3
• CAS: 632-69-9
• Synonyms: Xantryl, Acid red 94, Rose bengal disodium salt
• IUPAC Name: disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
• Molecular Weight: 1017.6
• Molecular Formula: C20H2Cl4I4Na2O5
• Canonical SMILES: C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]
• InChI: InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
• InChI Key: KCQREHTWEUECQT-UHFFFAOYSA-L
• Melting Point: >300 °C
• Purity: 98%+
• Solubility: Soluble in H2O
• Appearance: Dark red to Brown powder to crystal
• Storage: Room temperature
• pKa: 3.9, 4.7 (at 25 °C)