1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl] [4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-, monosodium salt

Base Information

• Chemical Name: 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl] [4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-, monosodium salt
• CAS No.: 4463-44-9
• Molecular Formula: C25H28N2O7S2
• Molecular Weight: 556.6267
• Hs Code.: 32041200
• European Community (EC) Number: 224-728-5
• Mol file: 4463-44-9.mol

Synonyms:1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl] [4-(ethylimino)-3-methyl-2,5-cyclohexadien -1-ylidene]methyl]-6-hydroxy-, monosodium salt;4463-44-9;C25H28N2O7S2.Na;C25-H28-N2-O7-S2.Na;Toluene-2,4-disulfonic acid, .alpha.-[4-(ethylamino)-m-tolyl]-.alpha.-[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-5-hydroxy-, monosodium salt

Chemical Property of 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl] [4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-, monosodium salt

Chemical Property:

• Melting Point: 295oC (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 172.95000
• Density: g/cm³
• LogP: 6.29670
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 556.13138790
• Heavy Atom Count: 37
• Complexity: 1140

Purity/Quality:

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

Xylenecyanol DyeContent:≥80%(TiCltitra ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: [H-].CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)C.[Na+]
• Isomeric SMILES: [H-].CCNC1=C(C=C(C=C1)/C(=C/2\C=CC(=NCC)C(=C2)C)/C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)C.[Na+]