Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol, 1,1-dioxide
Basic information
- CAS
4424-03-7- Standard SMILES
O=S1(=O)OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21- InChIKey
VJYGFSGAAOVTLC-UHFFFAOYSA-N- Molecular formula
- C19H12O6S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.03545927
Overview
structure in first source
Names & identifiers
- Preferred name
- Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol, 1,1-dioxide
- IUPAC
- 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',6'-diol
- English name
- SULFONFLUORESCEIN
- Molecular formula
- C19H12O6S
- Molecular weight
- 368.36
Names & synonyms
Sulfonefluorescein4424-03-75473V7NJYPDTXSID8073978Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol 1,1-dioxideBenzenesulfonic acid, O-(3,6,9-trihydroxyxanthen-9-yl)-, gamma-sultoneSpiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol, 1,1-dioxideSpiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',6'-diol, 1,1-dioxideH2SF cpdRefChem:186582DTXCID6040296224-596-9
Show more names
SKL15375.0%(LC&SULFONFLUORESCEINSulphonefluoresceinSulfonfluorescein >3,6-Dihydroxy-9-(2-sulfophenyl)xanthyliumbetaine1,1-dioxospiro[benzo[c]oxathiole-3,9'-xanthene]-3',6'-diol1,1-diketospiro[benzo[c]oxathiole-3,9'-xanthene]-3',6'-diol1,1-dioxospiro[benzo[c][1,2]oxathiole-3,9'-xanthene]-3',6'-diol
Sulfonfluorescein3',6'-Dihydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxideMFCD000706181,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',6'-diolSCHEMBL15836279S0132T72482BENZENESULFONIC ACID, O-(3,6,9-TRIHYDROXYXANTHEN-9-YL)-, .GAMMA.-SULTONE
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 622.1 · 622.1±55.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 9.17 · 9.17±0.20(Predicted)
- form
- powder to crystal
- color
- Orange to Amber to Dark red
- FDA UNII
- 5473 V7NJYP · 5473V7NJYP
- EPA Substance Registry System
- 3 H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',6'-diol, · Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',6'-diol, 1,1-dioxide (4424-03-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- RTECS
- 9930000 · WG9930000
- HS Code
- 2934.99 · 2934.99.4400
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
- rtecs
- WG9930000
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
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