2-Isopropyl-2H-pyrazole-3-carbaldehyde - CAS 100305-93-9
Catalog: |
BB053542 |
Product Name: |
2-Isopropyl-2H-pyrazole-3-carbaldehyde |
CAS: |
100305-93-9 |
Synonyms: |
2-Isopropyl-2H-pyrazole-3-carbaldehyde; 2-Isopropylpyrazole-3-carbaldehyde; 1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)- |
IUPAC Name: | 2-propan-2-ylpyrazole-3-carbaldehyde |
Molecular Weight: | 138.17 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CC(C)N1C(=CC=N1)C=O |
InChI: | InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3 |
InChI Key: | JGQABCBGCJORGR-UHFFFAOYSA-N |
Boiling Point: | 228.9±13.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.1±0.1 g/cm3 |
Appearance: | Liquid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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