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113765-39-2 molecular structure
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3,5-bis(propan-2-yl)phenyl diphenyl phosphate

ChemBase ID: 162331
Molecular Formular: C24H27O4P
Molecular Mass: 410.442541
Monoisotopic Mass: 410.16469597
SMILES and InChIs

SMILES:
O(P(=O)(Oc1ccccc1)Oc1cc(cc(c1)C(C)C)C(C)C)c1ccccc1
Canonical SMILES:
CC(c1cc(cc(c1)C(C)C)OP(=O)(Oc1ccccc1)Oc1ccccc1)C
InChI:
InChI=1S/C24H27O4P/c1-18(2)20-15-21(19(3)4)17-24(16-20)28-29(25,26-22-11-7-5-8-12-22)27-23-13-9-6-10-14-23/h5-19H,1-4H3
InChIKey:
PYIXRBAUGAEEEW-UHFFFAOYSA-N

Cite this record

CBID:162331 http://www.chembase.cn/molecule-162331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-bis(propan-2-yl)phenyl diphenyl phosphate
IUPAC Traditional name
3,5-diisopropylphenyl diphenyl phosphate
Synonyms
Phosphoric acid, 3,5-Bis(1-methylethyl)phenyl Diphenyl Ester
3,5-Diisopropylphenyl Diphenyl Phosphate
3,5-Bis(isopropyl)phenyl Diphenyl Phosphate
CAS Number
113765-39-2
PubChem SID
162256466
PubChem CID
13767291

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC B451430 external link Add to cart
PubChem 13767291 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 13767291 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.577672  LogD (pH = 7.4) 7.577672 
Log P 7.577672  Molar Refractivity 115.8132 cm3
Polarizability 45.689342 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B451430 external link
3,5-Bis(isopropyl)phenyl Diphenyl Phosphate is an isopropylphenyl phosphate used as a chromatographic standard.

REFERENCES

REFERENCES

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  • • Hlavaty, J. et al.: Sbor. Vys. Skoly Chem.-Technol. Praze D Tech. Paliv, D54, 41 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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