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1499-29-2 molecular structure
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[(dichlorophosphoryl)methyl]phosphonoyl dichloride

ChemBase ID: 148584
Molecular Formular: CH2Cl4O2P2
Molecular Mass: 249.784902
Monoisotopic Mass: 247.82841328
SMILES and InChIs

SMILES:
C(P(=O)(Cl)Cl)P(=O)(Cl)Cl
Canonical SMILES:
ClP(=O)(CP(=O)(Cl)Cl)Cl
InChI:
InChI=1S/CH2Cl4O2P2/c2-8(3,6)1-9(4,5)7/h1H2
InChIKey:
VRXYCDTWIOCJBH-UHFFFAOYSA-N

Cite this record

CBID:148584 http://www.chembase.cn/molecule-148584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(dichlorophosphoryl)methyl]phosphonoyl dichloride
IUPAC Traditional name
(dichlorophosphoryl)methylphosphonoyl dichloride
Synonyms
Methylenebis(phosphonic dichloride)
亚甲基双膦酰二氯
CAS Number
1499-29-2
MDL Number
MFCD00013901
PubChem SID
162242759
24868355
PubChem CID
5063078

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
447714 external link Add to cart Please log in.
Data Source Data ID
PubChem 5063078 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.544272  LogD (pH = 7.4) 1.544272 
Log P 1.544272  Molar Refractivity 42.1653 cm3
Polarizability 17.312057 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-104 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
14-34 expand Show data source
Safety Statements
26-27-36/37/39-45 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
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 1 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
97% expand Show data source
Linear Formula
CH2[P(O)Cl2]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 447714 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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