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31570-04-4 molecular structure
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tris(2,4-di-tert-butylphenyl) phosphite

ChemBase ID: 147925
Molecular Formular: C42H63O3P
Molecular Mass: 646.921581
Monoisotopic Mass: 646.45148251
SMILES and InChIs

SMILES:
CC(C)(C)c1ccc(c(c1)C(C)(C)C)OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C
Canonical SMILES:
CC(c1cc(ccc1OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI:
InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
InChIKey:
JKIJEFPNVSHHEI-UHFFFAOYSA-N

Cite this record

CBID:147925 http://www.chembase.cn/molecule-147925.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,4-di-tert-butylphenyl) phosphite
IUPAC Traditional name
tris(2,4-di-tert-butylphenyl) phosphite
Synonyms
Tris(2,4-di-tert-butylphenyl) phosphite
Tris(2,4-di-tert-butylphenyl) phosphite
三(2,4-二叔丁基苯基)亚磷酸酯
CAS Number
31570-04-4
EC Number
250-709-6
MDL Number
MFCD00072706
PubChem SID
162242106
24867703
PubChem CID
91601

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 91601 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 15.7142  LogD (pH = 7.4) 15.7142 
Log P 15.7142  Molar Refractivity 199.3049 cm3
Polarizability 78.05023 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
181-184 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
nwg expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Linear Formula
[[(CH3)3C]2C6H3O]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 441791 external link
Application
Processing stabilizer for polymers
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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