3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde - CAS 22042-79-1
Catalog: |
BB046838 |
Product Name: |
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde |
CAS: |
22042-79-1 |
Synonyms: |
1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-; 3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde; 3,5-dimethyl-4-formyl-1-phenylpyrazole; 3,5-Dimethyl-1-phenyl-4-formylpyrazole |
IUPAC Name: | 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde |
Description: | 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS# 22042-79-1 ) is a useful research chemical. |
Molecular Weight: | 200.24 |
Molecular Formula: | C12H12N2O |
Canonical SMILES: | CC1=C(C(=NN1C2=CC=CC=C2)C)C=O |
InChI: | InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3 |
InChI Key: | VOMRTQQGXWPTJK-UHFFFAOYSA-N |
Boiling Point: | 340 ℃ at 760 mmHg |
Melting Point: | 125-128 ℃ |
Purity: | ≥ 95 % |
Density: | 1.11 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Beige to light yellow powder |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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