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6684-06-6 molecular structure
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2-chloropyridine-3-sulfonyl chloride

ChemBase ID: 53990
Molecular Formular: C5H3Cl2NO2S
Molecular Mass: 212.05382
Monoisotopic Mass: 210.9261547
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c(nccc1)Cl)Cl
Canonical SMILES:
Clc1ncccc1S(=O)(=O)Cl
InChI:
InChI=1S/C5H3Cl2NO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
InChIKey:
MFJSIQDQIZEVJX-UHFFFAOYSA-N

Cite this record

CBID:53990 http://www.chembase.cn/molecule-53990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloropyridine-3-sulfonyl chloride
IUPAC Traditional name
2-chloropyridine-3-sulfonyl chloride
Synonyms
2-Chloro-pyridine-3-sulfonyl chloride
2-Chloro-3-(chlorosulphonyl)pyridine
2-Chloropyridine-3-sulphonyl chloride
2-chloropyridine-3-sulfonyl chloride
CAS Number
6684-06-6
6684/6/6
MDL Number
MFCD05664916
PubChem SID
162058753
PubChem CID
10219968

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 17.631332 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
42 - 44°C expand Show data source
42-43°C expand Show data source
51-53°C expand Show data source
Hydrophobicity(logP)
-0.53 expand Show data source
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Store under Argon expand Show data source
IRRITANT, CORROSIVE 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
96% expand Show data source
97% 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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