5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid - CAS 30479-81-3
Catalog: |
BB020612 |
Product Name: |
5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid |
CAS: |
30479-81-3 |
Synonyms: |
5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid |
IUPAC Name: | 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid |
Description: | 5-(3-Amino-5-oxo-2-pyrazolin-1-yl)-2-phenoxybenzenesulfonic acid (CAS# 30479-81-3 ) is a useful research chemical. |
Molecular Weight: | 347.35 |
Molecular Formula: | C15H13N3O5S |
Canonical SMILES: | C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O)N |
InChI: | InChI=1S/C15H13N3O5S/c16-14-9-15(19)18(17-14)10-6-7-12(13(8-10)24(20,21)22)23-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,17)(H,20,21,22) |
InChI Key: | ZZSAILZSWKPTCT-UHFFFAOYSA-N |
Melting Point: | 297 °C (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.56 g/cm3 |
MDL: | MFCD00134368 |
LogP: | 3.01620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021066080-A1 | Drug, drug manufacturing method, and water purification method | 20191001 |
CN-110769931-A | Catalyst for generating free radical, method for producing oxidation reaction product, chemical, and chemical for agricultural and livestock use | 20170617 |
EP-3626339-A1 | Radical-generating catalyst, radical production method, oxidation reaction product production method, chemical agent, and chemical agent for agriculture and livestock | 20170617 |
US-2020171118-A1 | Radical generating catalyst, method for producing radical, method for producing oxidation reaction product, drug, and drug for use in agriculture and livestock industry | 20170617 |
WO-2018230743-A1 | Radical-generating catalyst, radical production method, oxidation reaction product production method, chemical agent, and chemical agent for agriculture and livestock | 20170617 |
Complexity: | 609 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 347.05759170 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 347.05759170 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 131 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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