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22952-32-5 molecular structure
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5-chloro-2-methoxybenzene-1-sulfonyl chloride

ChemBase ID: 34696
Molecular Formular: C7H6Cl2O3S
Molecular Mass: 241.09174
Monoisotopic Mass: 239.94147041
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(ccc1OC)Cl)Cl
Canonical SMILES:
COc1ccc(cc1S(=O)(=O)Cl)Cl
InChI:
InChI=1S/C7H6Cl2O3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKey:
FCJGLIMDVOTBLO-UHFFFAOYSA-N

Cite this record

CBID:34696 http://www.chembase.cn/molecule-34696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methoxybenzene-1-sulfonyl chloride
IUPAC Traditional name
5-chloro-2-methoxybenzenesulfonyl chloride
Synonyms
5-Chloro-2-methoxybenzenesulfonyl chloride
4-Chloro-2-(chlorosulphonyl)anisole
5-Chloro-2-methoxybenzenesulphonyl chloride
5-Chloro-2-methoxybenzenesulfonyl chloride
5-氯-2-甲氧基苯磺酰氯
CAS Number
22952-32-5
MDL Number
MFCD00052959
PubChem SID
160998003
PubChem CID
2734272

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3659222  LogD (pH = 7.4) 2.3659222 
Log P 2.3659222  Molar Refractivity 51.5202 cm3
Polarizability 20.917757 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-104°C expand Show data source
100-104°C expand Show data source
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3096 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
20-26-36/37/39-45 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
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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