Dibromosulphthalein

Base Information

• Chemical Name: Dibromosulphthalein
• CAS No.: 17199-35-8
• Molecular Formula: C20H12 Br2 O10 S2
• Molecular Weight: 636.24
• DSSTox Substance ID: DTXSID10169197
• Wikidata: Q83038857
• ChEMBL ID: CHEMBL2074600
• Mol file: 17199-35-8.mol

Synonyms:3,6-dibromosulfophthalein;dibromosulfothalein;dibromosulfthalein;dibromosulphthalein;dibromosulphthalein, disodium salt, 3H-labeled;dibromsulphalein;dibromsulphthalein;phenol-3,6-dibromophthalein disulfonate

Chemical Property of Dibromosulphthalein

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -1.10±0.45(Predicted)
• Flash Point: °C
• PSA: 170.26000
• Density: 2.005g/cm³
• LogP: 6.19870
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 635.82181
• Heavy Atom Count: 34
• Complexity: 906

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC=C(C=C4)OS(=O)(=O)O)OS(=O)(=O)O

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