Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-

Base Information

• Chemical Name: Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-
• CAS No.: 7452-52-0
• Molecular Formula: C27H26 Cl N O6
• Molecular Weight: 495.95144
• European Community (EC) Number: 231-223-3
• Nikkaji Number: J74.600B
• Mol file: 7452-52-0.mol

Synonyms:EINECS 231-223-3;C.I. Mordant Violet 28;C27H26ClNO6;7452-52-0;C27-H26-Cl-N-O6;Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-;5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-3-methylsalicylic acid;5-[(3-CARBOXY-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)[2-CHLORO-4-(DIETHYLAMINO)PHENYL]METHYL]-3-METHYLSALICYLIC ACID;Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-;C.I.43570

Chemical Property of Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 731.899°C at 760 mmHg
• Flash Point: 396.438°C
• PSA: 115.14000
• Density: 1.369g/cm³
• LogP: 5.24030
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 495.1448652
• Heavy Atom Count: 35
• Complexity: 949

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O)Cl
• Isomeric SMILES: CCN(CC)C1=CC(=C(C=C1)/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/C3=CC(=C(C(=C3)C)O)C(=O)O)Cl