4-Methylphthalazin-1(2H)-one - CAS 5004-48-8
Catalog: |
BB054152 |
Product Name: |
4-Methylphthalazin-1(2H)-one |
CAS: |
5004-48-8 |
Synonyms: |
1(2H)-Phthalazinone, 4-methyl-; Hydroxy-4-methylphthalazine; 4-Methylphthalazin-1-ol; 1-Hydroxy-4-methylphthalazine; NSC116342; 4-methylphthalazinone; 4-Methyl-(2H)-phthalazin-1-one; 4-Methyl-1-phthalazinol; 4-Methyl-1-phthalazinone |
IUPAC Name: | 4-methyl-2H-phthalazin-1-one |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | CC1=NNC(=O)C2=CC=CC=C12 |
InChI: | InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12) |
InChI Key: | QRNVHFPDZAZUGX-UHFFFAOYSA-N |
Melting Point: | 223-224°C |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | Store at -20°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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