Sodium ((4-((4-(anilino)phenyl)(4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)benzenesulphonate

Base Information

• Chemical Name: Sodium ((4-((4-(anilino)phenyl)(4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)benzenesulphonate
• CAS No.: 8004-90-8
• Molecular Formula: C37H29 N3 O3 S . Na
• Molecular Weight: 1231.42
• European Community (EC) Number: 232-331-3
• DSSTox Substance ID: DTXSID101000931
• Nikkaji Number: J23.835J
• Mol file: 8004-90-8.mol

Synonyms:8004-90-8;EINECS 232-331-3;Alkali blue;Sodium ((4-((4-(anilino)phenyl)(4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)benzenesulphonate;sodium;4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonate;Sodium [[4-[[4-(anilino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonate;C37H29N3O3S.Na;C32H27N3O3S;KUC108823AM;DTXSID101000931;C37-H29-N3-O3-S.Na;C32-H27-N3-O3-S;AKOS015995572;KSC-213-36;[[4-[(4-Amino-m-tolyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulfonic acid;4-[4-[alpha-(4-Amino-3-methylphenyl)-4-anilino-alpha-hydroxybenzyl]anilino]benzenesulfonic acid sodium salt;Benzenesulfonic acid, [[4-[(4-amino-3-methylphenyl) [4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl ]phenyl]amino]-;Benzenesulfonic acid, [[4-[[4-(phenylamino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]-, monosodium salt;sodium 4-(4-((4-amino-3-methylphenyl)(hydroxy)(4-(phenylamino)phenyl)methyl)phenylamino)benzenesulfonate;Sodium 4-{4-[(4-amino-3-methylphenyl)(4-anilinophenyl)hydroxymethyl]anilino}benzene-1-sulfonate;sodium 4-{4-[(4-amino-3-methylphenyl)(4-anilinophenyl)hydroxymethyl]anilino}benzenesulfonate

Chemical Property of Sodium ((4-((4-(anilino)phenyl)(4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)benzenesulphonate

Chemical Property:

• PSA: 102.00000
• LogP: 10.00530
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 573.16982184
• Heavy Atom Count: 41
• Complexity: 889

Purity/Quality:

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

sodium4-({4-[(4-amino-3-methylphenyl)(4-anilinophenyl)hydroxymethyl]phenyl}amino)benzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])O)N.[Na+]