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4708-04-7 molecular structure
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propylphosphonoyl dichloride

ChemBase ID: 295473
Molecular Formular: C3H7Cl2OP
Molecular Mass: 160.966841
Monoisotopic Mass: 159.96115683
SMILES and InChIs

SMILES:
CCCP(=O)(Cl)Cl
Canonical SMILES:
CCCP(=O)(Cl)Cl
InChI:
InChI=1S/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey:
CWMQAFZROJAZQS-UHFFFAOYSA-N

Cite this record

CBID:295473 http://www.chembase.cn/molecule-295473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propylphosphonoyl dichloride
IUPAC Traditional name
propylphosphonoyl dichloride
Synonyms
1-Propanephosphonic dichloride
1-Propylphosphonic dichloride
1-丙基二氯化磷
CAS Number
4708-04-7
EC Number
225-195-1
MDL Number
MFCD00002075
Beilstein Number
1747457
PubChem SID
180681004
PubChem CID
78439

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 78439 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.6118706 
LogD (pH = 7.4) 1.6118706  Log P 1.6118706 
Molar Refractivity 33.7178 cm3 Polarizability 13.453935 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
88-90°C/50mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.290 expand Show data source
Refractive Index
1.4650 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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