Home > Compound List > Compound details
67373-56-2 molecular structure
click picture or here to close

chloro(2,3-dimethylbutan-2-yl)dimethylsilane

ChemBase ID: 149938
Molecular Formular: C8H19ClSi
Molecular Mass: 178.77496
Monoisotopic Mass: 178.09445482
SMILES and InChIs

SMILES:
CC(C)C(C)(C)[Si](C)(C)Cl
Canonical SMILES:
CC(C([Si](Cl)(C)C)(C)C)C
InChI:
InChI=1S/C8H19ClSi/c1-7(2)8(3,4)10(5,6)9/h7H,1-6H3
InChIKey:
KIGALSBMRYYLFJ-UHFFFAOYSA-N

Cite this record

CBID:149938 http://www.chembase.cn/molecule-149938.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(2,3-dimethylbutan-2-yl)dimethylsilane
IUPAC Traditional name
chloro(2,3-dimethylbutan-2-yl)dimethylsilane
Synonyms
Chlorodimethylthexylsilane
Dimethyl(2,3-dimethylbutyl)chlorosilane
Dimethylthexylchlorosilane
Dimethylthexylsilyl chloride
TDSCl
Thexyldimethylsilyl chloride
Chlorodimethyl(1,1,2-trimethylpropyl)silane
Dimethyl-(2,3-dimethyl-2-butyl)chlorosilane
Dimethyl-thexylchlorosilane
Chloro(dimethyl)thexylsilane
二甲基叔己基氯化硅
二甲基-(2,3-二甲基-2-丁基)氯硅烷
二甲基叔己基氯化硅
氯二甲基(1,1,2-三甲基丙基)硅烷
氯(二甲基)叔己基硅烷
CAS Number
67373-56-2
MDL Number
MFCD00012175
Beilstein Number
3647960
PubChem SID
24889083
24889084
24858253
162244100
PubChem CID
144239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 144239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6124  LogD (pH = 7.4) 3.6124 
Log P 3.6124  Molar Refractivity 46.1944 cm3
Polarizability 20.200396 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)
Melting Point
14-15°C expand Show data source
Boiling Point
55-56 °C/10 mmHg(lit.) expand Show data source
55-56°C/10mm expand Show data source
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
51°C(124°F) expand Show data source
Density
0.909 g/mL at 25 °C(lit.) expand Show data source
0.911 expand Show data source
Refractive Index
1.4500 expand Show data source
n20/D 1.449(lit.) expand Show data source
n20/D 1.450 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2986 expand Show data source
UN2986 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 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
10-34 expand Show data source
10-34-37 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
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
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-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 2986 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
95% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Linear Formula
(CH3)2CHC(CH3)2Si(CH3)2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 302449 external link
Packaging
5, 25, 100 g in glass bottle
Application
Protecting reagent for alcohols and other functional groups.1,2 Employed in the synthesis of silicon naphthocyanine3 and cyclodextrin derivatives,4 which are useful as antitumor dyes and chiral stationary phases, respectively.
Sigma Aldrich - 88330 external link
Other Notes
Protecting group reagent with some advantages compared to tert-butyldimethylchlorosilane (less expensive, liquid, slightly more stable)1,2,3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for the introduction, in the presence of a base such as triethylamine or imidazole in DMF, of the thexyldimethylsilyl (TDS) group for protection of hydroxyl functions. The greater steric hindrance of the TDS group compared with TBDMS confers greater (at least 2-3x) stability to acid or base hydrolysis. Cleavage with F- is also about 2-3x slower than for TBDMS: Tetrahedron Lett., 26, 5511 (1985); 32, 2135 (1991). TDS is also an extremely useful protecting group for nitrogen functions, providing readily purifiable derivatives which survive a variety of chemical transformations, but are readily cleaved by F-: Tetrahedron Lett., 26, 5515 (1985); J. Chem. Soc., Perkin 1, 423 (1998).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle