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1173021-99-2 molecular structure
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4-ethylbenzene-1-sulfonamide; silanone

ChemBase ID: 137299
Molecular Formular: C8H13NO3SSi
Molecular Mass: 231.34422
Monoisotopic Mass: 231.03854081
SMILES and InChIs

SMILES:
CCc1ccc(cc1)S(=O)(=O)N.O=[SiH2]
Canonical SMILES:
CCc1ccc(cc1)S(=O)(=O)N.[SiH2]=O
InChI:
InChI=1S/C8H11NO2S.H2OSi/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2/h3-6H,2H2,1H3,(H2,9,10,11);2H2
InChIKey:
YQAYZZQADRZEMP-UHFFFAOYSA-N

Cite this record

CBID:137299 http://www.chembase.cn/molecule-137299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethylbenzene-1-sulfonamide; silanone
IUPAC Traditional name
4-ethylbenzenesulfonamide; silicon monoxide
Synonyms
Aminosulfo-2-Ar functionalized silica gel
4-Ethyl-benzene sulfonamide-functionalized silica gel
氨基磺酸-2-芳基官能化硅胶
4-乙基-苯磺酰胺官能化硅胶
CAS Number
1173021-99-2
MDL Number
MFCD03096015
PubChem SID
162231563
PubChem CID
45052148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
537934 external link Add to cart Please log in.
Data Source Data ID
PubChem 45052148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.437491  H Acceptors
H Donor LogD (pH = 5.5) 1.5372622 
LogD (pH = 7.4) 1.5369139  Log P 1.5372666 
Molar Refractivity 47.8581 cm3 Polarizability 19.21464 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Particle Size
200-400 mesh expand Show data source
Pore Size
60 Å pore size expand Show data source
Surface Area
500 m2/g expand Show data source
Extent of Labeling
0.9 mmol/g loading expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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