Home Sulfos 4-Chlorobenzenesulfonic acid hydrate

4-Chlorobenzenesulfonic acid hydrate

CAS No.:
98-66-8
Catalog Number:
AG003L6H
Molecular Formula:
C6H5ClO3S
Molecular Weight:
192.6201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG003L6H
Chemical Name:
4-Chlorobenzenesulfonic acid hydrate
CAS Number:
98-66-8
Molecular Formula:
C6H5ClO3S
Molecular Weight:
192.6201
MDL Number:
MFCD00065342
IUPAC Name:
4-chlorobenzenesulfonic acid
InChI:
InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:
RJWBTWIBUIGANW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)O
EC Number:
202-690-0
UNII:
5CN6B87IK2
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.613g/mol
Monoisotopic Mass:
191.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
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Potassium 2-iodo-benzene-sulfonate monohydrate. Acta crystallographica. Section E, Structure reports online 20080801
1-Methyl-2-[(E)-2-(2-thien-yl)ethen-yl]quinolinium iodide. Acta crystallographica. Section E, Structure reports online 20080801
Pseudomonas aeruginosa strain RW41 mineralizes 4-chlorobenzenesulfonate, the major polar by-product from DDT manufacturing. Environmental microbiology 20080601
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Properties