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162578-86-1 molecular structure
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chlorobis(2-methylpropyl)octadecylsilane

ChemBase ID: 146041
Molecular Formular: C26H55ClSi
Molecular Mass: 431.2534
Monoisotopic Mass: 430.37615597
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)Cl
Canonical SMILES:
CCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)Cl
InChI:
InChI=1S/C26H55ClSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(27,23-25(2)3)24-26(4)5/h25-26H,6-24H2,1-5H3
InChIKey:
LAMXXRLSKVGVCO-UHFFFAOYSA-N

Cite this record

CBID:146041 http://www.chembase.cn/molecule-146041.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlorobis(2-methylpropyl)octadecylsilane
IUPAC Traditional name
chlorobis(2-methylpropyl)octadecylsilane
Synonyms
Chlorodiisobutyloctadecylsilane
氯二异丁基十八烷基硅烷
CAS Number
162578-86-1
MDL Number
MFCD00191911
PubChem SID
162240240
24865267
PubChem CID
5080333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
404713 external link Add to cart Please log in.
Data Source Data ID
PubChem 5080333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.0906  LogD (pH = 7.4) 11.0906 
Log P 11.0906  Molar Refractivity 129.1692 cm3
Polarizability 53.406246 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
140-170 °C/0.05 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.86 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.459(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2987 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
23-26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2987 8/PG 2 expand Show data source
Purity
85% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
CH3(CH2)17Si[CH2CH(CH3)2]2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 404713 external link
Other Notes
remainder octadecane
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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