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Home Sulfos 4-Nitrotoluene-2-sulfonic acid hydrate

4-Nitrotoluene-2-sulfonic acid hydrate

CAS No.:
121-03-9
Catalog Number:
AG003B96
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
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
$62
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003B96
Chemical Name:
4-Nitrotoluene-2-sulfonic acid hydrate
CAS Number:
121-03-9
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD09955463
IUPAC Name:
2-methyl-5-nitrobenzenesulfonic acid
InChI:
InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChI Key:
ZDTXQHVBLWYPHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C
EC Number:
204-445-3
UNII:
JBO1Z0PMOH
NSC Number:
9580
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
2-Hy-droxy-ethanaminium 2-methyl-5-nitro-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120901
Concentrating versus non-concentrating reactors for solar photocatalytic degradation of p-nitrotoluene-o-sulfonic acid. Water science and technology : a journal of the International Association on Water Pollution Research 20010101
Properties