Home > Compound List > Compound details
227305-69-3 molecular structure
click picture or here to close

(2,3-dihydro-1-benzofuran-5-yl)boronic acid

ChemBase ID: 64273
Molecular Formular: C8H9BO3
Molecular Mass: 163.96626
Monoisotopic Mass: 164.06447455
SMILES and InChIs

SMILES:
B(c1cc2c(OCC2)cc1)(O)O
Canonical SMILES:
OB(c1ccc2c(c1)CCO2)O
InChI:
InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2
InChIKey:
ZIXLJHSFAMVHPC-UHFFFAOYSA-N

Cite this record

CBID:64273 http://www.chembase.cn/molecule-64273.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,3-dihydro-1-benzofuran-5-yl)boronic acid
IUPAC Traditional name
2,3-dihydro-1-benzofuran-5-ylboronic acid
Synonyms
5-Borono-2,3-dihydro-1-benzofuran
2,3-Dihydrobenzo[b]furan-5-boronic acid
2,3-dihydro-1-benzofuran-5-ylboronic acid
2,3-Dihydrobenzofuran-5-boronic acid
2,3-Dihydrobenzo[b]furan-5-boronic acid
2,3-dihydro-1-benzofuran-5-ylboranediol
2,3-二氢苯并[b]呋喃-5-硼酸
CAS Number
227305-69-3
MDL Number
MFCD02681979
PubChem SID
162030012
PubChem CID
2773380

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.885334  H Acceptors
H Donor LogD (pH = 5.5) 1.3686222 
LogD (pH = 7.4) 1.3548973  Log P 1.3688 
Molar Refractivity 40.3763 cm3 Polarizability 17.088787 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
200°C expand Show data source
260-270°C expand Show data source
284 - 286°C expand Show data source
Hydrophobicity(logP)
1.649 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
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
95% expand Show data source
97% expand Show data source
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