2-Cyano-4-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 2-Cyano-4-(trifluoromethyl)phenylboronic acid
• CAS No.: 1218790-84-1
• Molecular Formula: C₈H₅BF₃NO₂
• Molecular Weight: 214.939
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID60681758
• Wikidata: Q82605901
• Mol file: 1218790-84-1.mol

Synonyms:1218790-84-1;2-CYANO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;(2-Cyano-4-(trifluoromethyl)phenyl)boronic acid;[2-cyano-4-(trifluoromethyl)phenyl]boronic acid;(2-Cyano-4-(trifluoromethyl)phenyl)boronicacid;SCHEMBL15010719;DTXSID60681758;MFCD13195679;AKOS015836123;BS-21195;CS-0174074;EN300-1719977

Chemical Property of 2-Cyano-4-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Boiling Point: 348.9±52.0 °C(Predicted)
• PKA: 7.27±0.58(Predicted)
• PSA: 64.25000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 0.25688
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 215.0365431
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-4-(trifluoromethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O