1-Cyclopropyl-1H-pyrazole-4-carbaldehyde - CAS 1082066-00-9
Catalog: |
BB042568 |
Product Name: |
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde |
CAS: |
1082066-00-9 |
Synonyms: |
SCHEMBL3317489; ZINC76914600 |
IUPAC Name: | 1-cyclopropylpyrazole-4-carbaldehyde |
Description: | 1-Cyclopropyl-1H-pyrazole-4-carbaldehyde (CAS# 1082066-00-9 ) is a useful research chemical. |
Molecular Weight: | 136.15 |
Molecular Formula: | C7H8N2O |
Canonical SMILES: | C1CC1N2C=C(C=N2)C=O |
InChI: | InChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2 |
InChI Key: | KHABDBBXXQVOHP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Related Functional Groups
Amines and Anilines
Pyrazoles
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