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16133-25-8 molecular structure
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pyridine-3-sulfonyl chloride hydrochloride

ChemBase ID: 17702
Molecular Formular: C5H5Cl2NO2S
Molecular Mass: 214.0697
Monoisotopic Mass: 212.94180477
SMILES and InChIs

SMILES:
c1(cccnc1)S(=O)(=O)Cl.Cl
Canonical SMILES:
ClS(=O)(=O)c1cccnc1.Cl
InChI:
InChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H
InChIKey:
VIVPWOMJFLICOZ-UHFFFAOYSA-N

Cite this record

CBID:17702 http://www.chembase.cn/molecule-17702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-3-sulfonyl chloride hydrochloride
IUPAC Traditional name
pyridine-3-sulfonyl chloride hydrochloride
Synonyms
Pyridine-3-sulfonyl chloride hydrochloride
Pyridine-3-sulphonyl chloride hydrochloride, tech
CAS Number
16133-25-8
42899-76-3
MDL Number
MFCD04035552
PubChem SID
160981009
PubChem CID
12571517

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)
Melting Point
120-126°C expand Show data source
144-5°C expand Show data source
Hydrophobicity(logP)
-1.327 expand Show data source
Storage Warning
Corrosive/Store below -20C expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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