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2-Nitrotoluene-4-sulfonic acid
[CAS# 97-06-3]

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Identification
Name 2-Nitrotoluene-4-sulfonic acid
Synonyms 4-Methyl-3-Nitro-Benzenesulfonic Acid; 2-Nitro-P-Toluenesulphonic Acid; Benzenesulfonic Acid, 4-Methyl-3-Nitro-
Molecular Structure CAS#: 97-06-3, 2-Nitrotoluene-4-sulfonic acid
Molecular Formula C7H7NO5S
Molecular Weight 217.20
CAS Registry Number 97-06-3
EINECS 202-556-1
SMILES C1=C([S](O)(=O)=O)C=CC(=C1[N+](=O)[O-])C
InChI 1S/C7H7NO5S/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)
InChIKey GJYYWZTYFNSZRP-UHFFFAOYSA-N
Properties
Density 1.548g/cm3 (Cal.)
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