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6579-54-0 molecular structure
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2,6-dichlorobenzene-1-sulfonyl chloride

ChemBase ID: 9053
Molecular Formular: C6H3Cl3O2S
Molecular Mass: 245.51082
Monoisotopic Mass: 243.89193338
SMILES and InChIs

SMILES:
c1ccc(c(c1Cl)S(=O)(=O)Cl)Cl
Canonical SMILES:
Clc1cccc(c1S(=O)(=O)Cl)Cl
InChI:
InChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
InChIKey:
WGGKQIKICKLWGN-UHFFFAOYSA-N

Cite this record

CBID:9053 http://www.chembase.cn/molecule-9053.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichlorobenzene-1-sulfonyl chloride
IUPAC Traditional name
2,6-dichlorobenzenesulfonyl chloride
Synonyms
2,6-Dichlorobenzenesulfonyl chloride
2,6-Dichlorobenzenesulfonyl chloride
2,6-dichlorobenzene-1-sulfonyl chloride
2,6-Dichlorobenzenesulphonyl chloride 98%
2,6-二氯苯磺酰氯
CAS Number
6579-54-0
MDL Number
MFCD00052311
Beilstein Number
1531023
PubChem SID
160972360
24878843
PubChem CID
522183

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.127638  LogD (pH = 7.4) 3.127638 
Log P 3.127638  Molar Refractivity 49.8618 cm3
Polarizability 20.384525 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
51-55°C expand Show data source
52-54°C expand Show data source
53-56 °C(lit.) expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Storage Warning
Corrosive/Moisture Sensitive 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
1759 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
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 Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
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
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1759 8/PG 2 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
Cl2C6H3SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 545708 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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