(2-(3-(3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene)-1-propenyl)phenoxy)acetic acid

Base Information

• Chemical Name: (2-(3-(3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene)-1-propenyl)phenoxy)acetic acid
• CAS No.: 41388-04-9
• Molecular Formula: C27H27 Cl3 N2 O4
• Molecular Weight: 549.87328
• European Community (EC) Number: 255-347-2
• Mol file: 41388-04-9.mol

Synonyms:EINECS 255-347-2;41388-04-9;(2-(3-(3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene)-1-propenyl)phenoxy)acetic acid;[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]acetic acid;C27H27Cl3N2O4;C27-H27-Cl3-N2-O4

Chemical Property of (2-(3-(3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene)-1-propenyl)phenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 2.76E-19mmHg at 25°C
• Boiling Point: 677.6°Cat760mmHg
• Flash Point: 363.6°C
• PSA: 79.20000
• Density: 1.3g/cm³
• LogP: 7.31370
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 548.103640
• Heavy Atom Count: 36
• Complexity: 835

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=NN(C(=O)C1=CC=CC2=CC=CC=C2OCC(=O)O)C3=C(C=C(C=C3Cl)Cl)Cl
• Isomeric SMILES: CCCCCCCC\1=NN(C(=O)/C1=C\C=C\C2=CC=CC=C2OCC(=O)O)C3=C(C=C(C=C3Cl)Cl)Cl