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1641-61-8 molecular structure
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dimethyl cyclohexylphosphonate

ChemBase ID: 303777
Molecular Formular: C8H17O3P
Molecular Mass: 192.192541
Monoisotopic Mass: 192.09153103
SMILES and InChIs

SMILES:
COP(=O)(C1CCCCC1)OC
Canonical SMILES:
COP(=O)(C1CCCCC1)OC
InChI:
InChI=1S/C8H17O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey:
OZOVYDFZXJIQPR-UHFFFAOYSA-N

Cite this record

CBID:303777 http://www.chembase.cn/molecule-303777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl cyclohexylphosphonate
IUPAC Traditional name
dimethyl cyclohexylphosphonate
Synonyms
Dimethyl cyclohexylphosphonate
环己基磷酸二甲酯
CAS Number
1641-61-8
MDL Number
MFCD00014300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 44364 external link Add to cart
Data Source Data ID Price
Alfa Aesar
44364 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.637232  LogD (pH = 7.4) 1.637232 
Log P 1.637232  Molar Refractivity 47.4044 cm3
Polarizability 19.44693 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
30-32°C/0.1mm expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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