2,4-Diaminobenzenesulfonic acid - CAS 88-63-1
Catalog: |
BB039036 |
Product Name: |
2,4-Diaminobenzenesulfonic acid |
CAS: |
88-63-1 |
Synonyms: |
2,4-diaminobenzenesulfonic acid |
IUPAC Name: | 2,4-diaminobenzenesulfonic acid |
Description: | 2,4-Diaminobenzenesulfonic acid (CAS# 88-63-1) is an intermediate in the synthesis of FP-TZTP, >85% (F756500) which is an M2 selective muscarinic agonist that may allow noninvasive studies of Alzheimer's disease with PET. |
Molecular Weight: | 188.20 |
Molecular Formula: | C6H8N2O3S |
Canonical SMILES: | C1=CC(=C(C=C1N)N)S(=O)(=O)O |
InChI: | InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) |
InChI Key: | JVMSQRAXNZPDHF-UHFFFAOYSA-N |
Boiling Point: | 313 °C |
Melting Point: | 260-266 °C |
Purity: | 95 % |
Density: | 1.611 g/cm3 |
Appearance: | Brown crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00035772 |
LogP: | 2.34090 |
GHS Hazard Statement: | H315 (96.38%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16412621 | 20060101 | Spectroscopic characterization and identification of Pseudomonas fluorescens mediated metabolic products of Acid Yellow-9 | Microbiological research |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02556330 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02556330 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 115 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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