Home > Compound List > Compound details
1623-08-1 molecular structure
click picture or here to close

bis(benzyloxy)phosphinic acid

ChemBase ID: 150054
Molecular Formular: C14H15O4P
Molecular Mass: 278.240261
Monoisotopic Mass: 278.07079559
SMILES and InChIs

SMILES:
c1ccc(cc1)COP(=O)(O)OCc1ccccc1
Canonical SMILES:
OP(=O)(OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKey:
HDFFVHSMHLDSLO-UHFFFAOYSA-N

Cite this record

CBID:150054 http://www.chembase.cn/molecule-150054.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(benzyloxy)phosphinic acid
IUPAC Traditional name
dibenzyloxyphosphinic acid
Synonyms
Dibenzyl Hydrogen Phosphate
Dibenzyl Phosphate
Dibenzylphosphoric Acid
Phosphoric Acid Dibenzyl Ester
Dibenzyl phosphate
Phosphoric acid dibenzyl ester
磷酸二苄酯
CAS Number
1623-08-1
EC Number
216-602-3
MDL Number
MFCD00004775
Beilstein Number
2055755
PubChem SID
162244216
24893773
PubChem CID
74189

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74189 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8510659  H Acceptors
H Donor LogD (pH = 5.5) 0.83085704 
LogD (pH = 7.4) 0.8086556  Log P 3.184764 
Molar Refractivity 72.8417 cm3 Polarizability 28.711704 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
78-80 °C expand Show data source
78-80 °C(lit.) expand Show data source
78-81°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (T) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5CH2O)2P(O)(OH) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - D36550 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bagley, D. M. et al.; Toxicol. In Vitro 13, 505 (1999)
  • • Gilleron, L. et al.; Toxicol. In Vitro 11, 641 (1997)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle