Home > Compound List > Compound details
76101-30-9 molecular structure
click picture or here to close

2-cyanoethyl dichlorophosphinite

ChemBase ID: 92958
Molecular Formular: C3H4Cl2NOP
Molecular Mass: 171.949721
Monoisotopic Mass: 170.94075574
SMILES and InChIs

SMILES:
N#CCCOP(Cl)Cl
Canonical SMILES:
ClP(OCCC#N)Cl
InChI:
InChI=1S/C3H4Cl2NOP/c4-8(5)7-3-1-2-6/h1,3H2
InChIKey:
ZSJQVOIPLQDHCE-UHFFFAOYSA-N

Cite this record

CBID:92958 http://www.chembase.cn/molecule-92958.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyanoethyl dichlorophosphinite
IUPAC Traditional name
2-cyanoethyl dichlorophosphinite
Synonyms
beta-Cyanoethylphosphorodichloridite
(2-Cyanoethoxy)dichlorophosphine
Phosphorodichloridous Acid 2-Cyanoethyl Ester
2-Cyanoethyl Phosphorodichloridite
CAS Number
76101-30-9
MDL Number
MFCD00040958
PubChem SID
162079656
PubChem CID
195897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 195897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3521  LogD (pH = 7.4) 1.3521 
Log P 1.3521  Molar Refractivity 35.9188 cm3
Polarizability 13.491094 Å3 Polar Surface Area 33.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Clear Colorless Liquid expand Show data source
Boiling Point
105-108°C/32mm expand Show data source
105-108°C/32 mm expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
Toxic expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific TRC TRC
Apollo Scientific Ltd - OR9810T external link
A protecting reagent in DNA synthesis. Also a phosphorylating agent.
Toronto Research Chemicals - C981000 external link
A protecting reagent in DNA synthesis. Also a phosphorylating agent.

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