3-Cyclopropyl-1-methyl-1H-pyrazole-5-carbaldehyde - CAS 1245808-37-0
Catalog: |
BB053253 |
Product Name: |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carbaldehyde |
CAS: |
1245808-37-0 |
Synonyms: |
3-cyclopropyl-1-methylpyrazole-5-carbaldehyde |
IUPAC Name: | 5-cyclopropyl-2-methylpyrazole-3-carbaldehyde |
Molecular Weight: | 150.18 |
Molecular Formula: | C8H10N2O |
Canonical SMILES: | CN1C(=CC(=N1)C2CC2)C=O |
InChI: | InChI=1S/C8H10N2O/c1-10-7(5-11)4-8(9-10)6-2-3-6/h4-6H,2-3H2,1H3 |
InChI Key: | DOCQIUDPZNFVFK-UHFFFAOYSA-N |
Boiling Point: | 285.1±28.0 °C at 760 mmHg |
Density: | 1.3±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: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Related Functional Groups
Carbonyl Compounds
Pyrazoles
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