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7297-95-2 molecular structure
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tris(2,4,6-trimethylphenyl)borane

ChemBase ID: 151522
Molecular Formular: C27H33B
Molecular Mass: 368.36192
Monoisotopic Mass: 368.26753146
SMILES and InChIs

SMILES:
B(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Canonical SMILES:
Cc1cc(C)cc(c1B(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
InChI:
InChI=1S/C27H33B/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
InChIKey:
FXFWLXFJBVILBE-UHFFFAOYSA-N

Cite this record

CBID:151522 http://www.chembase.cn/molecule-151522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,4,6-trimethylphenyl)borane
IUPAC Traditional name
tris(2,4,6-trimethylphenyl)borane
Synonyms
NSC 149907
Tris(2,4,6-trimethylphenyl) borane
Trimesitylborane
三异丙叉丙酮基硼烷
CAS Number
7297-95-2
MDL Number
MFCD00008539
PubChem SID
162245675
24853482
PubChem CID
288633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
225177 external link Add to cart Please log in.
Data Source Data ID
PubChem 288633 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.1114  LogD (pH = 7.4) 10.1114 
Log P 10.1114  Molar Refractivity 121.7937 cm3
Polarizability 47.589104 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
193-195 °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
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
[2,4,6-(CH3)3C6H2]3B expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 225177 external link
Packaging
1 g in glass bottle
Application
Reactant involved in:
• Synthesis of sandwich complex of trimesitylborane and fluoroborate and cyanoborate derivatives1
• Investigations of reactivity of aryldimesitylboranes under Suzuki-Miyaura coupling conditions2
• Laser desorption ionization mass spectrometry investigations3
• Studies of ion conductive characteristics of boron stabilized carbanions4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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