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74542-82-8 molecular structure
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buta-2,3-dien-2-yltrimethylsilane

ChemBase ID: 146219
Molecular Formular: C7H14Si
Molecular Mass: 126.27156
Monoisotopic Mass: 126.08647698
SMILES and InChIs

SMILES:
CC(=C=C)[Si](C)(C)C
Canonical SMILES:
C=C=C([Si](C)(C)C)C
InChI:
InChI=1S/C7H14Si/c1-6-7(2)8(3,4)5/h1H2,2-5H3
InChIKey:
BARFIQOXZWRCGW-UHFFFAOYSA-N

Cite this record

CBID:146219 http://www.chembase.cn/molecule-146219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
buta-2,3-dien-2-yltrimethylsilane
IUPAC Traditional name
buta-2,3-dien-2-yltrimethylsilane
Synonyms
3-(Trimethylsilyl)-1,2-butadiene
3-(三甲基硅基)-1,2-丁二烯
CAS Number
74542-82-8
MDL Number
MFCD01321223
PubChem SID
24865661
162240418
PubChem CID
376772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
409596 external link Add to cart Please log in.
Data Source Data ID
PubChem 376772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2562  LogD (pH = 7.4) 2.2562 
Log P 2.2562  Molar Refractivity 36.137 cm3
Polarizability 15.79223 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)
Boiling Point
111-112 °C(lit.) expand Show data source
Flash Point
19.4 °F expand Show data source
-7 °C expand Show data source
Density
0.759 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.444(lit.) 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 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
98% expand Show data source
Linear Formula
H2C=C=C(CH3)Si(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 409596 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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