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91608-15-0 molecular structure
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tris(2,4,6-trimethoxyphenyl)phosphane

ChemBase ID: 145627
Molecular Formular: C27H33O9P
Molecular Mass: 532.519281
Monoisotopic Mass: 532.18621927
SMILES and InChIs

SMILES:
COc1cc(c(c(c1)OC)P(c1c(cc(cc1OC)OC)OC)c1c(cc(cc1OC)OC)OC)OC
Canonical SMILES:
COc1cc(OC)cc(c1P(c1c(OC)cc(cc1OC)OC)c1c(OC)cc(cc1OC)OC)OC
InChI:
InChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3
InChIKey:
JQKHNBQZGUKYPX-UHFFFAOYSA-N

Cite this record

CBID:145627 http://www.chembase.cn/molecule-145627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,4,6-trimethoxyphenyl)phosphane
IUPAC Traditional name
tris(2,4,6-trimethoxyphenyl)phosphane
Synonyms
TTMPP
Tris(2,4,6-trimethoxyphenyl)phosphine
三(2,4,6-三甲氧基苯基)膦
CAS Number
91608-15-0
MDL Number
MFCD00145467
PubChem SID
162239832
24864423
PubChem CID
522987

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
392081 external link Add to cart Please log in.
Data Source Data ID
PubChem 522987 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8323  LogD (pH = 7.4) 2.8323 
Log P 2.8323  Molar Refractivity 139.7917 cm3
Polarizability 54.935 Å3 Polar Surface Area 83.07 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
155-160 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Linear Formula
[(CH3O)3C6H2]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 392081 external link
Packaging
5, 25 g in glass bottle
Application
Highly basic arylphosphine.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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