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1498-54-0 molecular structure
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(diethylamino)phosphonoyl dichloride

ChemBase ID: 296369
Molecular Formular: C4H10Cl2NOP
Molecular Mass: 190.008061
Monoisotopic Mass: 188.98770594
SMILES and InChIs

SMILES:
CCN(CC)P(=O)(Cl)Cl
Canonical SMILES:
CCN(P(=O)(Cl)Cl)CC
InChI:
InChI=1S/C4H10Cl2NOP/c1-3-7(4-2)9(5,6)8/h3-4H2,1-2H3
InChIKey:
FXKRFCBTXGJQPY-UHFFFAOYSA-N

Cite this record

CBID:296369 http://www.chembase.cn/molecule-296369.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diethylamino)phosphonoyl dichloride
IUPAC Traditional name
diethylaminophosphonoyl dichloride
Synonyms
Dichloro(diethylamino)phosphine oxide
Diethylphosphoramidic dichloride
二乙基二氯膦酰胺
CAS Number
1498-54-0
MDL Number
MFCD00013897
PubChem SID
180681900
PubChem CID
73906

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 73906 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0967809  LogD (pH = 7.4) 1.0967809 
Log P 1.0967809  Molar Refractivity 42.6213 cm3
Polarizability 16.431553 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
220°C expand Show data source
Refractive Index
1.4640 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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