Home > Compound List > Compound details
754226-40-9 molecular structure
click picture or here to close

4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane; formaldehyde

ChemBase ID: 298094
Molecular Formular: C19H23BO3
Molecular Mass: 310.19512
Monoisotopic Mass: 310.174025
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)c1ccccc1.C=O
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccccc1.O=C
InChI:
InChI=1S/C18H21BO2.CH2O/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-2/h5-13H,1-4H3;1H2
InChIKey:
WXPRIOGZCSEFFB-UHFFFAOYSA-N

Cite this record

CBID:298094 http://www.chembase.cn/molecule-298094.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane; formaldehyde
IUPAC Traditional name
4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane; formaldehyde
Synonyms
4,4,5,5-Tetramethyl-2-[4-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
4-(Phenoxymethyl)benzeneboronic acid pinacol ester
4-Benzyloxyphenylboronic acid pinacol ester
4-Benzyloxybenzeneboronic acid pinacol ester
4-(苯氧基甲基)苯硼酸频哪酯
4-苄氧基苯硼酸频哪酯
CAS Number
754226-40-9
MDL Number
MFCD04974107
MFCD18827485
PubChem SID
180683625
PubChem CID
73995343

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 73995343 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5848  LogD (pH = 7.4) 5.5848 
Log P 5.5848  Molar Refractivity 80.8493 cm3
Polarizability 35.065853 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
88°C 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
95% 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