5-Isopropyl-2H-pyrazole-3-carbaldehyde - CAS 956723-08-3
Catalog: |
BB053180 |
Product Name: |
5-Isopropyl-2H-pyrazole-3-carbaldehyde |
CAS: |
956723-08-3 |
Synonyms: |
5-Isopropylpyrazole-3-carboxaldehyde |
IUPAC Name: | 5-propan-2-yl-1H-pyrazole-3-carbaldehyde |
Molecular Weight: | 138.17 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CC(C)C1=CC(=NN1)C=O |
InChI: | InChI=1S/C7H10N2O/c1-5(2)7-3-6(4-10)8-9-7/h3-5H,1-2H3,(H,8,9) |
InChI Key: | SSTDIGBIYSTOET-UHFFFAOYSA-N |
Boiling Point: | 283.9±28.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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