Home > Compound List > Compound details
3634-67-1 molecular structure
click picture or here to close

chlorotrihexylsilane

ChemBase ID: 111889
Molecular Formular: C18H39ClSi
Molecular Mass: 319.04076
Monoisotopic Mass: 318.25095546
SMILES and InChIs

SMILES:
CCCCCC[Si](Cl)(CCCCCC)CCCCCC
Canonical SMILES:
CCCCCC[Si](CCCCCC)(CCCCCC)Cl
InChI:
InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey:
WZQSBCHNVPAYOC-UHFFFAOYSA-N

Cite this record

CBID:111889 http://www.chembase.cn/molecule-111889.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlorotrihexylsilane
IUPAC Traditional name
chlorotrihexylsilane
Synonyms
TRIHEXYLCHLOROSILANE
Chlorotrihexylsilane
氯三己基硅烷
CAS Number
3634-67-1
EC Number
222-851-9
MDL Number
MFCD00000510
PubChem SID
24855383
162097325
PubChem CID
77188

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 77188 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.9072  LogD (pH = 7.4) 7.9072 
Log P 7.9072  Molar Refractivity 92.62 cm3
Polarizability 38.639915 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
153.5-154 °C/5 mmHg(lit.) expand Show data source
155°C expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.871 g/ml expand Show data source
0.871 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.454(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
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
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 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
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[CH3(CH2)5]3SiCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221574 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 254444 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle