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2295-12-7 molecular structure
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1,1-dimethylsiletane

ChemBase ID: 152154
Molecular Formular: C5H12Si
Molecular Mass: 100.23428
Monoisotopic Mass: 100.07082692
SMILES and InChIs

SMILES:
C[Si]1(CCC1)C
Canonical SMILES:
C[Si]1(C)CCC1
InChI:
InChI=1S/C5H12Si/c1-6(2)4-3-5-6/h3-5H2,1-2H3
InChIKey:
YQQFFTNDQFUNHB-UHFFFAOYSA-N

Cite this record

CBID:152154 http://www.chembase.cn/molecule-152154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-dimethylsiletane
IUPAC Traditional name
1,1-dimethylsiletane
Synonyms
1,1-Dimethylsilacyclobutane
Dimethyltrimethylenesilane
1,1-Dimethylsiletane
1,1-二甲基硅杂环丁烷
二甲基三亚甲基硅烷
1,1-二甲基硅代环丁烷
CAS Number
2295-12-7
EC Number
218-939-1
MDL Number
MFCD00039674
Beilstein Number
102434
PubChem SID
24866026
162246299
PubChem CID
75300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
41571 external link Add to cart Please log in.
Data Source Data ID
PubChem 75300 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9313  LogD (pH = 7.4) 1.9313 
Log P 1.9313  Molar Refractivity 25.1912 cm3
Polarizability 12.148064 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
23 °F expand Show data source
-5 °C expand Show data source
Density
0.777 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.428 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16-23-24/25 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
≥97.0% expand Show data source
Empirical Formula (Hill Notation)
C5H12Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41571 external link
Other Notes
Reactive silicon compound undergoing various insertion reactions giving 5- and 6-membered rings1,2,3
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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