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129368-70-3 molecular structure
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[(6-bromohexyl)oxy](tert-butyl)dimethylsilane

ChemBase ID: 150043
Molecular Formular: C12H27BrOSi
Molecular Mass: 295.33168
Monoisotopic Mass: 294.10145402
SMILES and InChIs

SMILES:
CC(C)(C)[Si](C)(C)OCCCCCCBr
Canonical SMILES:
BrCCCCCCO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C12H27BrOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-11H2,1-5H3
InChIKey:
PBKXRKYUUXKNSL-UHFFFAOYSA-N

Cite this record

CBID:150043 http://www.chembase.cn/molecule-150043.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(6-bromohexyl)oxy](tert-butyl)dimethylsilane
IUPAC Traditional name
[(6-bromohexyl)oxy](tert-butyl)dimethylsilane
Synonyms
(6-Bromohexyloxy)-tert-butyldimethylsilane
(6-溴己氧基)-叔丁基二甲基硅烷
CAS Number
129368-70-3
MDL Number
MFCD01863708
PubChem SID
162244205
24873678
PubChem CID
4260352

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
513148 external link Add to cart Please log in.
Data Source Data ID
PubChem 4260352 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3611  LogD (pH = 7.4) 4.3611 
Log P 4.3611  Molar Refractivity 69.1482 cm3
Polarizability 29.080925 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
276 °C(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
1.053 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.457(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, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
99% expand Show data source
Linear Formula
(CH3)3CSi(CH3)2O(CH2)6Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 513148 external link
Packaging
5, 25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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