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7521-80-4 molecular structure
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butyltrichlorosilane

ChemBase ID: 141295
Molecular Formular: C4H9Cl3Si
Molecular Mass: 191.55876
Monoisotopic Mass: 189.95390986
SMILES and InChIs

SMILES:
CCCC[Si](Cl)(Cl)Cl
Canonical SMILES:
CCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKey:
FQEKAFQSVPLXON-UHFFFAOYSA-N

Cite this record

CBID:141295 http://www.chembase.cn/molecule-141295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyltrichlorosilane
IUPAC Traditional name
butyl trichloro silane
Synonyms
n-Butyltrichlorosilane
Butyltrichlorosilane
正丁基三氯硅烷
丁基三氯硅烷
CAS Number
7521-80-4
EC Number
231-381-3
MDL Number
MFCD00013605
Beilstein Number
1736032
PubChem SID
162235529
24846678
24885477
PubChem CID
24142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1372  LogD (pH = 7.4) 3.1372 
Log P 3.1372  Molar Refractivity 37.7316 cm3
Polarizability 16.653803 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)
Apperance
liquid expand Show data source
Boiling Point
142-143°C expand Show data source
149 °C(lit.) expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
45°C(113°F) expand Show data source
Density
1.16 g/mL at 25 °C(lit.) expand Show data source
1.160 expand Show data source
Refractive Index
1.4370 expand Show data source
n20/D 1.437(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
VV2080000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1747 expand Show data source
UN1747 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-14-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
8-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H314 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P280-P303+P361+P353-P305+P351+P338-P310-P402+P404 expand Show data source
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 1747 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥98% expand Show data source
97+% expand Show data source
99% expand Show data source
Grade
deposition grade expand Show data source
Linear Formula
CH3(CH2)3SiCl3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 104825 external link
Packaging
25 mL in glass bottle
Sigma Aldrich - 679224 external link
Packaging
50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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