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684-19-5 molecular structure
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2-(tert-butylphosphonoyl)-2-methylpropane

ChemBase ID: 144191
Molecular Formular: C8H19OP
Molecular Mass: 162.209621
Monoisotopic Mass: 162.11735186
SMILES and InChIs

SMILES:
CC(C)(C)P(=O)C(C)(C)C
Canonical SMILES:
CC(P(=O)C(C)(C)C)(C)C
InChI:
InChI=1S/C8H19OP/c1-7(2,3)10(9)8(4,5)6/h10H,1-6H3
InChIKey:
RYLNFGJYRKJXQE-UHFFFAOYSA-N

Cite this record

CBID:144191 http://www.chembase.cn/molecule-144191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tert-butylphosphonoyl)-2-methylpropane
IUPAC Traditional name
2-(tert-butylphosphonoyl)-2-methylpropane
Synonyms
Di-tert-butylphosphine oxide
CAS Number
684-19-5
MDL Number
MFCD00460156
PubChem SID
162238408
PubChem CID
6328050

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
734071 external link Add to cart Please log in.
Data Source Data ID
PubChem 6328050 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1312  LogD (pH = 7.4) 1.1312 
Log P 1.1312  Molar Refractivity 46.4475 cm3
Polarizability 18.739784 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74-82 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
11 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Empirical Formula (Hill Notation)
C8H19OP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 734071 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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