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13183-70-5 molecular structure
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trimethyl[4-(trimethylsilyl)phenyl]silane

ChemBase ID: 149617
Molecular Formular: C12H22Si2
Molecular Mass: 222.47408
Monoisotopic Mass: 222.12600377
SMILES and InChIs

SMILES:
C[Si](C)(C)c1ccc(cc1)[Si](C)(C)C
Canonical SMILES:
C[Si](c1ccc(cc1)[Si](C)(C)C)(C)C
InChI:
InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
InChIKey:
NVRBTKMAZQNKPX-UHFFFAOYSA-N

Cite this record

CBID:149617 http://www.chembase.cn/molecule-149617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[4-(trimethylsilyl)phenyl]silane
IUPAC Traditional name
trimethyl[4-(trimethylsilyl)phenyl]silane
Synonyms
p-Phenylenebis(trimethylsilane)
1,4-Bis(trimethylsilyl)benzene
1,4-双(三甲基硅)苯
1,4-双(三甲基甲硅烷基)苯
CAS Number
13183-70-5
MDL Number
MFCD00015592
Beilstein Number
1867055
PubChem SID
162243780
24867483
PubChem CID
25771

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
438936 external link Add to cart Please log in.
Data Source Data ID
PubChem 25771 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2158  LogD (pH = 7.4) 5.2158 
Log P 5.2158  Molar Refractivity 58.1852 cm3
Polarizability 27.282776 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
91-94 °C(lit.) expand Show data source
Boiling Point
194 °C/742 mmHg(lit.) expand Show data source
Flash Point
175 °C expand Show data source
347 °F 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
Purity
96% expand Show data source
Linear Formula
C6H4[Si(CH3)3]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 438936 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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