1-phenyl-1H-pyrazole-5-carbaldehyde - CAS 132274-70-5
Catalog: |
BB053559 |
Product Name: |
1-phenyl-1H-pyrazole-5-carbaldehyde |
CAS: |
132274-70-5 |
Synonyms: |
1H-Pyrazole-5-carboxaldehyde, 1-phenyl- |
IUPAC Name: | 2-phenylpyrazole-3-carbaldehyde |
Molecular Weight: | 172.18 |
Molecular Formula: | C10H8N2O |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=CC=N2)C=O |
InChI: | InChI=1S/C10H8N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-8H |
InChI Key: | OQORFMABOZEDBL-UHFFFAOYSA-N |
Boiling Point: | 312.7±15.0 °C at 760 mmHg |
Melting Point: | 31°C |
Purity: | 95% |
Density: | 1.2±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: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Carbonyl Compounds
Pyrazoles
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