5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde , 97% , 947-95-5

CAS NO.：947-95-5

Empirical Formula: C11H9ClN2O

Molecular Weight: 220.65

MDL number: MFCD00100755

PRODUCT Properties

• Melting point: 145-148 °C (lit.)
• Boiling point: 356.1±37.0 °C(Predicted)
• Density: 1.26
• refractive index: 1.6000 (estimate)
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• form: powder to crystal
• pka: -3.81±0.10(Predicted)
• color: White to Light yellow
• InChI: InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
• InChIKey: DKZPJLZXLKAMDO-UHFFFAOYSA-N
• SMILES: N1(C2=CC=CC=C2)C(Cl)=C(C=O)C(C)=N1
• CAS DataBase Reference: 947-95-5(CAS DataBase Reference)

Description and Uses

5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde (5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde) may be employed as starting material for the following syntheses:

• 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde hydrazone
• N¹-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)thiosemicarbazone
• pyrazole derivatives, which were pharmacologically evaluated for analgesic (tail flick) and anti-inflammatory (based on carrageenan-induced paw edema) activities
• N′-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4- yl)methylene] 2/4-substituted hydrazides

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29331990