(2-Mercaptophenyl)boronic acid

Base Information

• Chemical Name: (2-Mercaptophenyl)boronic acid
• CAS No.: 352526-00-2
• Molecular Formula: C₆H₇BO₂S
• Molecular Weight: 153.997
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00402565
• Nikkaji Number: J3.297.144J
• Wikidata: Q72488627
• Mol file: 352526-00-2.mol

Synonyms:(2-Mercaptophenyl)boronic acid;352526-00-2;(2-sulfanylphenyl)boronic Acid;2-Mercaptophenylboronic acid;mercaptophenylboronic acid;(2-Mercaptophenyl)boronicacid;SCHEMBL1845170;DTXSID00402565;1-(Dihydroxyboryl)-2-mercaptobenzene;AKOS015919492;AM62708;Boronic acid, (2-mercaptophenyl)- (9CI);CS-0451551;FT-0686879

Chemical Property of (2-Mercaptophenyl)boronic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Melting Point: 196-201 °C(lit.)
• Boiling Point: 331.686 °C at 760 mmHg
• PKA: 6.57±0.43(Predicted)
• Flash Point: 154.399 °C
• PSA: 79.26000
• Density: 1.271 g/cm³
• LogP: -0.34490
• Water Solubility.: at 25 deg C (mg/L): 668.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.0259808
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

(2-Mercaptophenyl)boronic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1S)(O)O

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