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62244-44-4 molecular structure
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(4-chlorophenyl)(methoxy)dimethylsilane

ChemBase ID: 296536
Molecular Formular: C9H13ClOSi
Molecular Mass: 200.73742
Monoisotopic Mass: 200.04241925
SMILES and InChIs

SMILES:
CO[Si](C)(C)c1ccc(cc1)Cl
Canonical SMILES:
CO[Si](c1ccc(cc1)Cl)(C)C
InChI:
InChI=1S/C9H13ClOSi/c1-11-12(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKey:
KKBHWXKQEGSHGS-UHFFFAOYSA-N

Cite this record

CBID:296536 http://www.chembase.cn/molecule-296536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)(methoxy)dimethylsilane
IUPAC Traditional name
(4-chlorophenyl)(methoxy)dimethylsilane
Synonyms
(4-Chlorophenyl)dimethylmethoxysilane
(4-Chlorophenyl)methoxydimethylsilane
(4-氯苯基)甲氧二甲基甲硅烷
CAS Number
62244-44-4
MDL Number
MFCD09266143
PubChem SID
180682067
PubChem CID
143891

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 143891 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4091  LogD (pH = 7.4) 2.4091 
Log P 2.4091  Molar Refractivity 48.8862 cm3
Polarizability 21.336601 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
93-95°C/15mm expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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