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10557-71-8 molecular structure
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(4-chlorophenyl)trimethylsilane

ChemBase ID: 145176
Molecular Formular: C9H13ClSi
Molecular Mass: 184.73802
Monoisotopic Mass: 184.04750463
SMILES and InChIs

SMILES:
C[Si](C)(C)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)[Si](C)(C)C
InChI:
InChI=1S/C9H13ClSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKey:
LCQUSGXMZKOTPG-UHFFFAOYSA-N

Cite this record

CBID:145176 http://www.chembase.cn/molecule-145176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)trimethylsilane
IUPAC Traditional name
(4-chlorophenyl)trimethylsilane
Synonyms
1-Chloro-4-(trimethylsilyl)benzene
1-氯-4-(三甲基甲硅烷基)苯
CAS Number
10557-71-8
MDL Number
MFCD00053218
PubChem SID
24870513
162239386
PubChem CID
66351

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
468398 external link Add to cart Please log in.
Data Source Data ID
PubChem 66351 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1492  LogD (pH = 7.4) 4.1492 
Log P 4.1492  Molar Refractivity 46.9264 cm3
Polarizability 20.646244 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
98-100 °C/20 mmHg(lit.) expand Show data source
Flash Point
171 °F expand Show data source
77 °C expand Show data source
Density
0.995 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.509(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
98% expand Show data source
Linear Formula
ClC6H4Si(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 468398 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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