1,4-Dimethyl-1H-pyrazole-5-carbaldehyde - CAS 1171645-70-7
Catalog: |
BB053372 |
Product Name: |
1,4-Dimethyl-1H-pyrazole-5-carbaldehyde |
CAS: |
1171645-70-7 |
Synonyms: |
2,4-Dimethyl-2H-pyrazole-3-carbaldehyde; 1,4-dimethylpyrazole-5-carbaldehyde |
IUPAC Name: | 2,4-dimethylpyrazole-3-carbaldehyde |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CC1=C(N(N=C1)C)C=O |
InChI: | InChI=1S/C6H8N2O/c1-5-3-7-8(2)6(5)4-9/h3-4H,1-2H3 |
InChI Key: | LGRBNVXIPYCEFL-UHFFFAOYSA-N |
Boiling Point: | 234.6±20.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.1±0.1 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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