4-Methyl-2-pyrazolin-5-one - CAS 13315-23-6
Catalog: |
BB007702 |
Product Name: |
4-Methyl-2-pyrazolin-5-one |
CAS: |
13315-23-6 |
Synonyms: |
4-methyl-1,4-dihydropyrazol-5-one |
IUPAC Name: | 4-methyl-1,4-dihydropyrazol-5-one |
Description: | 4-Methyl-2-pyrazolin-5-one (CAS# 13315-23-6) is a useful research chemical. |
Molecular Weight: | 98.10 |
Molecular Formula: | C4H6N2O |
Canonical SMILES: | CC1C=NNC1=O |
InChI: | InChI=1S/C4H6N2O/c1-3-2-5-6-4(3)7/h2-3H,1H3,(H,6,7) |
InChI Key: | GWYFIIHULJCWMO-UHFFFAOYSA-N |
Boiling Point: | 298.3 ℃ at 760 mmHg |
Melting Point: | 230-232 ℃ (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.107 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00003093 |
LogP: | -0.49750 |
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 |
KR-20190105701-A | Semi-conductor substrate cleaning solution composition | 20180306 |
KR-102242969-B1 | Semi-conductor substrate cleaning solution composition | 20180306 |
JP-WO2017047482-A1 | Charge control agent and toner using pyrazolone derivative or salt thereof | 20150917 |
WO-2017047482-A1 | Toner and charge control agent using pyrazolone derivative or salt of derivative | 20150917 |
JP-6720196-B2 | Charge control agent and toner using pyrazolone derivative or salt of the derivative | 20150917 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Related Functional Groups
Pyrazoles
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