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6684-39-5 molecular structure
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6-chloropyridine-3-sulfonyl chloride

ChemBase ID: 68446
Molecular Formular: C5H3Cl2NO2S
Molecular Mass: 212.05382
Monoisotopic Mass: 210.9261547
SMILES and InChIs

SMILES:
c1(ccc(cn1)S(=O)(=O)Cl)Cl
Canonical SMILES:
Clc1ccc(cn1)S(=O)(=O)Cl
InChI:
InChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKey:
QXZKKHONVQGXAK-UHFFFAOYSA-N

Cite this record

CBID:68446 http://www.chembase.cn/molecule-68446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyridine-3-sulfonyl chloride
IUPAC Traditional name
6-chloropyridine-3-sulfonyl chloride
Synonyms
6-Chloro-pyridine-3-sulfonyl chloride
2-Chloro-5-pyridinesulfonyl chloride
6-chloropyridine-3-sulfonyl chloride
CAS Number
6684-39-5
MDL Number
MFCD03541049
PubChem SID
162034177
PubChem CID
2792792

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5260983  LogD (pH = 7.4) 1.5260983 
Log P 1.5260983  Molar Refractivity 43.9614 cm3
Polarizability 17.61013 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
48 - 50°C expand Show data source
Hydrophobicity(logP)
-0.53 expand Show data source
Storage Warning
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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