Home > Compound List > Compound details
36238-99-0 molecular structure
click picture or here to close

bis(propan-2-yl) phenylphosphonite

ChemBase ID: 295893
Molecular Formular: C12H19O2P
Molecular Mass: 226.251821
Monoisotopic Mass: 226.11226648
SMILES and InChIs

SMILES:
CC(C)OP(c1ccccc1)OC(C)C
Canonical SMILES:
CC(OP(c1ccccc1)OC(C)C)C
InChI:
InChI=1S/C12H19O2P/c1-10(2)13-15(14-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey:
LDNCAOOMUMJYTN-UHFFFAOYSA-N

Cite this record

CBID:295893 http://www.chembase.cn/molecule-295893.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(propan-2-yl) phenylphosphonite
IUPAC Traditional name
diisopropyl phenylphosphonite
Synonyms
Phenylphosphonous acid diisopropyl ester
Diisopropyl phenylphosphonite
苯基磷酸二异丙酯
CAS Number
36238-99-0
MDL Number
MFCD00015024
PubChem SID
180681424
PubChem CID
298723

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
B23702 external link Add to cart Please log in.
Data Source Data ID
PubChem 298723 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7967994  LogD (pH = 7.4) 3.7968 
Log P 3.7968  Molar Refractivity 63.1029 cm3
Polarizability 25.461868 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
112-114°C/8mm expand Show data source
Density
0.995 expand Show data source
Storage Warning
Air Sensitive 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 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

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