Home > Compound List > Compound details
10419-77-9 molecular structure
click picture or here to close

diethyl (iodomethyl)phosphonate

ChemBase ID: 295296
Molecular Formular: C5H12IO3P
Molecular Mass: 278.025211
Monoisotopic Mass: 277.95687887
SMILES and InChIs

SMILES:
CCOP(=O)(CI)OCC
Canonical SMILES:
ICP(=O)(OCC)OCC
InChI:
InChI=1S/C5H12IO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKey:
PNFHTBDRPOJJTQ-UHFFFAOYSA-N

Cite this record

CBID:295296 http://www.chembase.cn/molecule-295296.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl (iodomethyl)phosphonate
IUPAC Traditional name
diethyl iodomethylphosphonate
Synonyms
Diethyl iodomethanephosphonate
Iodomethylphosphonic acid diethyl ester
Diethyl iodomethylphosphonate
碘甲基磷酸二乙酯
CAS Number
10419-77-9
EC Number
233-895-3
MDL Number
MFCD00041386
Beilstein Number
1812052
PubChem SID
180680827
PubChem CID
82616

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A13697 external link Add to cart Please log in.
Data Source Data ID
PubChem 82616 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8427866  LogD (pH = 7.4) 1.8427866 
Log P 1.8427866  Molar Refractivity 48.4338 cm3
Polarizability 19.966503 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
112-114°C/1mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Refractive Index
1.4995 expand Show data source
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 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 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 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