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89265-35-0 molecular structure
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2-methanesulfonylbenzene-1-sulfonyl chloride

ChemBase ID: 10092
Molecular Formular: C7H7ClO4S2
Molecular Mass: 254.71108
Monoisotopic Mass: 253.94742838
SMILES and InChIs

SMILES:
S(=O)(=O)(C)c1c(S(=O)(=O)Cl)cccc1
Canonical SMILES:
CS(=O)(=O)c1ccccc1S(=O)(=O)Cl
InChI:
InChI=1S/C7H7ClO4S2/c1-13(9,10)6-4-2-3-5-7(6)14(8,11)12/h2-5H,1H3
InChIKey:
XPJTUCSESGEMOI-UHFFFAOYSA-N

Cite this record

CBID:10092 http://www.chembase.cn/molecule-10092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methanesulfonylbenzene-1-sulfonyl chloride
IUPAC Traditional name
2-methanesulfonylbenzenesulfonyl chloride
Synonyms
2-(Methanesulfonyl)benzenesulfonyl chloride
2-(Methysulfonyl)benzenesulfonyl chloride
2-(Methylsulfonyl)benzenesulfonyl chloride
2-Methylsulfonylbenzenesulfonyl chloride
2-(Chlorosulphonyl)phenyl methyl sulphone
2-(Methylsulphonyl)benzenesulphonyl chloride 95%
2-(甲基磺酰)苯磺酰氯化物
CAS Number
89265-35-0
MDL Number
MFCD00216493
PubChem SID
160973399
PubChem CID
2735178

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.527807  H Acceptors
H Donor LogD (pH = 5.5) 0.7598574 
LogD (pH = 7.4) 0.7598574  Log P 0.7598574 
Molar Refractivity 54.2558 cm3 Polarizability 22.509491 Å3
Polar Surface Area 68.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
136 - 137°C expand Show data source
136-137°C expand Show data source
136-138°C expand Show data source
Hydrophobicity(logP)
-1.471 expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE 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
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
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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