CAS 121-03-9 4-Nitrotoluene-2-sulphonic acid

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4-Nitrotoluene-2-sulphonic acid

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Catalog Number

ACM121039

CAS Number

121-03-9

Product Name

4-Nitrotoluene-2-sulphonic acid

Structure

Category

Other Glass and Ceramic Materials

IUPAC Name

2-methyl-5-nitrobenzenesulfonic acid

Molecular Weight

217.2g/mol

Molecular Formula

C7H7NO5S

Canonical SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

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

Melting Point

133.5 °C

Solubility

3.07 M;VERY SOL IN WATER, ALCOHOL, ETHER, CHLOROFORM

Color/Form

PRISMS OR PLATES FROM WATER

Complexity

314

Covalently-Bonded Unit Count

EC Number

204-445-3

Exact Mass

217.004493g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

4-nitrotoluene-2-sulfonic acid;p-nitrotoluene-o-sulfonic acid

Monoisotopic Mass

217.004493g/mol

NSC Number

9580

Rotatable Bond Count

UNII

JBO1Z0PMOH

XLogP3

0.9

MSDS

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COA

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Spec Sheet

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