C44H30Cl2N14O20S6

Base Information

• Chemical Name: C44H30Cl2N14O20S6
• CAS No.: 61951-82-4
• Molecular Formula: C44H30Cl2N14O20S6
• Molecular Weight: 1338.09
• European Community (EC) Number: 263-351-0
• Mol file: 61951-82-4.mol

Synonyms:C44H30Cl2N14O20S6;C44-H30-Cl2-N14-O20-S6;4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

Chemical Property of C44H30Cl2N14O20S6

Chemical Property:

• Appearance/Colour: Dark purple to black powder
• Refractive Index: 1.862
• PKA: -1.52±0.30(Predicted)
• PSA: 591.34000
• Density: 2..016 g/cm³
• LogP: 10.73140
• XLogP3: 6
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 34
• Rotatable Bond Count: 18
• Exact Mass: 1335.9462118
• Heavy Atom Count: 86
• Complexity: 3160

Purity/Quality:

98%,99%, ^*data from raw suppliers

Reactive Red 120 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42/43-4/43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C(=CC(=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=CC(=CC8=C7C(=O)C(=NNC9=CC=CC=C9S(=O)(=O)O)C(=C8)S(=O)(=O)O)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O