Calcium phenolsulfonate

Base Information

• Chemical Name: Calcium phenolsulfonate
• CAS No.: 127-83-3
• Molecular Formula: C6H6 O4 S . 1/2 Ca
• Molecular Weight: 386.411
• European Community (EC) Number: 204-868-3
• UNII: 199995D30M
• DSSTox Substance ID: DTXSID80155365
• Wikidata: Q27252087
• Mol file: 127-83-3.mol

Synonyms:CALCIUM PHENOLSULFONATE;127-83-3;Calcium bis(4-hydroxybenzenesulphonate);calcium;4-hydroxybenzenesulfonate;UNII-199995D30M;Calcium bis(hydroxybenzenesulfonate);EINECS 204-868-3;calcium bis(4-hydroxybenzenesulfonate);199995D30M;Calcium sulfocarbolate;calcium 4-hydroxybenzenesulfonate;CALCIUM SULFOPHENOLATE;SCHEMBL119165;CALCIUM PHENOLSULPHONATE;C6H6O4S.1/2Ca;DTXSID80155365;JVEDXKIOAFPPPG-UHFFFAOYSA-L;C6-H6-O4-S.1/2Ca;CALCIUM PHENOLSULFONATE [MI];P-HYDROXYBENZENESULFONIC ACID CALCIUM SALT;4-Hydroxybenzenesulfonic acid calcium salt (2:1);Q27252087;BENZENESULFONIC ACID, 4-HYDROXY-, CALCIUM SALT (2:1);BENZENESULFONIC ACID, P-HYDROXY-, CALCIUM SALT (2:1)

Chemical Property of Calcium phenolsulfonate

Chemical Property:

• PSA: 171.62000
• LogP: 3.53500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 385.9443005
• Heavy Atom Count: 23
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Ca+2]