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5283-66-9 molecular structure
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trichloro(octyl)silane

ChemBase ID: 149665
Molecular Formular: C8H17Cl3Si
Molecular Mass: 247.66508
Monoisotopic Mass: 246.01651012
SMILES and InChIs

SMILES:
CCCCCCCC[Si](Cl)(Cl)Cl
Canonical SMILES:
CCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKey:
RCHUVCPBWWSUMC-UHFFFAOYSA-N

Cite this record

CBID:149665 http://www.chembase.cn/molecule-149665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trichloro(octyl)silane
IUPAC Traditional name
silane, trichlorooctyl-
Synonyms
Octyltrichlorosilane
Trichloro(octyl)silane
Trichloro-n-octylsilane
n-Octyltrichlorosilane
Trichloro(octyl)silane
辛基三氯硅烷
三氯(辛基)硅烷
正辛基三氯硅烷
CAS Number
5283-66-9
EC Number
226-112-1
MDL Number
MFCD00000488
Beilstein Number
1744230
PubChem SID
24853997
162243828
PubChem CID
21354

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21354 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7224  LogD (pH = 7.4) 4.7224 
Log P 4.7224  Molar Refractivity 56.1356 cm3
Polarizability 23.92955 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
225-227°C expand Show data source
233 °C/731 mmHg(lit.) expand Show data source
Flash Point
185 °F expand Show data source
85 °C expand Show data source
96°C(204°F) expand Show data source
Density
1.07 g/mL at 25 °C(lit.) expand Show data source
1.073 expand Show data source
Refractive Index
1.4470 expand Show data source
n20/D 1.447(lit.) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
VV4700000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1801 expand Show data source
UN1801 expand Show data source
MSDS Link
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
14-34 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
8-26-30-36/37/39-45 expand Show data source
TSCA Listed
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
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A 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 1801 8/PG 2 expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
CH3(CH2)7SiCl3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 235725 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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