1-(4-Sulfophenyl)-3-methyl-5-pyrazolone - CAS 89-36-1
Catalog: |
BB039441 |
Product Name: |
1-(4-Sulfophenyl)-3-methyl-5-pyrazolone |
CAS: |
89-36-1 |
Synonyms: |
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid |
IUPAC Name: | 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid |
Description: | 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone (CAS# 89-36-1) is a useful research chemical compound. |
Molecular Weight: | 254.26 |
Molecular Formula: | C10H10N2O4S |
Canonical SMILES: | CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O |
InChI: | InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16) |
InChI Key: | CWJQQASJVVAXKL-UHFFFAOYSA-N |
Boiling Point: | 477 ℃ |
Melting Point: | >252 ℃ (dec.) |
Purity: | 95 % |
Density: | 1.53 g/cm3 |
Appearance: | Beige powder. |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00020756 |
LogP: | 1.62730 |
GHS Hazard Statement: | H314 (84%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021095568-A | Resin composition and cured film using it | 20191217 |
CN-112441979-A | Compound, dye composition, coloring agent for anodized aluminum, coloring method, and method for producing compound | 20190829 |
JP-2021002518-A | Manufacturing method of electrode paste for secondary batteries | 20190620 |
CN-109971205-B | Pigment derivative, pigment for polyurethane ink and preparation method of pigment derivative and pigment for polyurethane ink | 20190419 |
WO-2020066909-A1 | Electrode for secondary batteries and lithium ion secondary battery | 20180925 |
Complexity: | 443 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.03612798 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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Related Functional Groups
Pyrazoles
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