Home > Compound List > Compound details
16133-25-8 molecular structure
click picture or here to close

pyridine-3-sulfonyl chloride

ChemBase ID: 30738
Molecular Formular: C5H4ClNO2S
Molecular Mass: 177.60876
Monoisotopic Mass: 176.96512705
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cnccc1)Cl
Canonical SMILES:
ClS(=O)(=O)c1cccnc1
InChI:
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKey:
CDRNYKLYADJTMN-UHFFFAOYSA-N

Cite this record

CBID:30738 http://www.chembase.cn/molecule-30738.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-3-sulfonyl chloride
IUPAC Traditional name
pyridine-3-sulfonyl chloride
Synonyms
Pyridine-3-sulfonyl chloride
Pyridine-3-sulfonyl chloride
吡啶-3-磺酰氯
CAS Number
16133-25-8
MDL Number
MFCD03452747
PubChem SID
160994045
PubChem CID
3164136

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.70187306  LogD (pH = 7.4) 0.7018764 
Log P 0.7018764  Molar Refractivity 38.0953 cm3
Polarizability 15.574764 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
284°C expand Show data source
Density
1.488 expand Show data source
Hydrophobicity(logP)
-1.327 expand Show data source
Storage Warning
IRRITANT expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

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