Home > Compound List > Compound details
913835-69-5 molecular structure
click picture or here to close

[5-(dihydroxyboranyl)-1-benzofuran-2-yl]boronic acid

ChemBase ID: 87659
Molecular Formular: C8H8B2O5
Molecular Mass: 205.76812
Monoisotopic Mass: 206.05578416
SMILES and InChIs

SMILES:
o1c2ccc(cc2cc1B(O)O)B(O)O
Canonical SMILES:
OB(c1ccc2c(c1)cc(o2)B(O)O)O
InChI:
InChI=1S/C8H8B2O5/c11-9(12)6-1-2-7-5(3-6)4-8(15-7)10(13)14/h1-4,11-14H
InChIKey:
LCHGNXMXVDSVAR-UHFFFAOYSA-N

Cite this record

CBID:87659 http://www.chembase.cn/molecule-87659.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(dihydroxyboranyl)-1-benzofuran-2-yl]boronic acid
IUPAC Traditional name
5-(dihydroxyboranyl)-1-benzofuran-2-ylboronic acid
Synonyms
Benzofuran-2,5-yldiboronic acid 98%
Benzo[b]furan-2,5-diboronic acid
苯并[b]呋喃-2,5-二硼酸
CAS Number
913835-69-5
MDL Number
MFCD08436058
PubChem SID
162074699
PubChem CID
44119346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44119346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.4685907  H Acceptors
H Donor LogD (pH = 5.5) 1.4498785 
LogD (pH = 7.4) 1.1773399  Log P 1.4545 
Molar Refractivity 43.2434 cm3 Polarizability 21.132284 Å3
Polar Surface Area 94.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
293-295°C expand Show data source
293-295°C expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle