Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt
Basic information
- CAS
632-68-8- Standard SMILES
O=C1OC2(c3cc(I)c([O-])c(I)c3Oc3c2cc(I)c([O-])c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[K+].[K+]- InChIKey
VQHHOXOLUXRQFQ-UHFFFAOYSA-L- Molecular formula
- C20H2Cl4I4K2O5
- Average molar mass
- 1,049.8 g/mol
- Monoisotopic mass
- 1,047.4109
Overview
See also: Rose Bengal Lactone (annotation moved to).
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt
- IUPAC
- dipotassium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
- English name
- Rose bengal
- Molecular formula
- C20H5Cl4I4KO5
- Molecular weight
- 1013.77
Names & synonyms
Aizen Rose BengalAcid Red 94Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium saltdipotassium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolateBengal Pink BBengal Red BSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium saltSimacid Rose BengalAizen Rose Bengal BTriacid Bengal Rose BAizen Food Red 105UNII-1ZPG1ELY14
Show more names
AKA232C.I.4544CIACIDRED94Rose bengalFD&CREDNO105ROSEBENGALEBRose Bengal KC.I.Acidred094ROSE BENGALE DY
Red No. 232EINECS 211-182-8Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, potassium salt (1:2)Tetrachlorotetraiodofluorescein dipotassium saltSCHEMBL1649956SCHEMBL29355344SCHEMBL31289857DTXSID00110057
Properties
Computed structural properties
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- form
- Powder
- color
- Dark red to rust
- FDA 21 CFR
- 310.503 · 310.503
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 ZPG1ELY14 · 1ZPG1ELY14
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt (632-68-8)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- RTECS
- 5920000 · LM5920000
- F
- 8 · 8
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LM5920000
- safety_code
- 22-24/25
Chemistry & industry
Preparation methods
PreparationResorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, The resulting 2-(1,2,7,8-Tetrachloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acidtetraiodide, potassium or sodium salt is then transformed into.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…