4-Amino-3-methylbenzenesulfonic Acid - CAS 98-33-9
Catalog: |
BB042145 |
Product Name: |
4-Amino-3-methylbenzenesulfonic Acid |
CAS: |
98-33-9 |
Synonyms: |
4-amino-3-methylbenzenesulfonic acid; 4-amino-3-methylbenzenesulfonic acid |
IUPAC Name: | 4-amino-3-methylbenzenesulfonic acid |
Description: | 4-Amino-3-methylbenzenesulfonic Acid (CAS# 98-33-9) is a useful research chemical. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | CC1=C(C=CC(=C1)S(=O)(=O)O)N |
InChI: | InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11) |
InChI Key: | WQTCZINVPXJNEL-UHFFFAOYSA-N |
Density: | 1.431 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00025198 |
LogP: | 2.48590 |
GHS Hazard Statement: | H315 (87.93%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21580520 | 20100320 | Hexaaqua-magnesium(II) bis-[4-(3-eth-oxy-2-hydroxy-benzyl-ideneamino)-3-methyl-benzene-sulfonate] | Acta crystallographica. Section E, Structure reports online |
21579611 | 20100109 | (4-Amino-3-methyl-benzene-sulfonato)tri-μ-aqua-penta-aqua-disodium 4-amino-3-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
21578587 | 20091111 | Hexaaqua-cobalt(II) bis-(4-amino-3-methyl-benzene-sulfonate) | Acta crystallographica. Section E, Structure reports online |
21578588 | 20091111 | Hexaaqua-magnesium bis-(4-amino-3-methyl-benzene-sulfonate) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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