Home > Compound List > Compound details
1293994-89-4 molecular structure
click picture or here to close

dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane

ChemBase ID: 144199
Molecular Formular: C12H8Cl4OP2
Molecular Mass: 371.950842
Monoisotopic Mass: 369.88044886
SMILES and InChIs

SMILES:
c1ccc(c(c1)Oc1ccccc1P(Cl)Cl)P(Cl)Cl
Canonical SMILES:
ClP(c1ccccc1Oc1ccccc1P(Cl)Cl)Cl
InChI:
InChI=1S/C12H8Cl4OP2/c13-18(14)11-7-3-1-5-9(11)17-10-6-2-4-8-12(10)19(15)16/h1-8H
InChIKey:
XDOGVZTTZQALKT-UHFFFAOYSA-N

Cite this record

CBID:144199 http://www.chembase.cn/molecule-144199.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane
IUPAC Traditional name
dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane
Synonyms
Bis(2-dichlorophosphinophenyl)ether
CAS Number
1293994-89-4
MDL Number
MFCD13182461
PubChem SID
162238416
PubChem CID
71311044

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
725412 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311044 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.7248  LogD (pH = 7.4) 5.7248 
Log P 5.7248  Molar Refractivity 86.0766 cm3
Polarizability 33.560745 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-66 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C12H8Cl4OP2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 725412 external link
Packaging
1, 5 g in glass bottle
250 mg in glass bottle

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