5-(Benzoylamino)-3-((3-(4-(tert-butyl)phenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid

Base Information

• Chemical Name: 5-(Benzoylamino)-3-((3-(4-(tert-butyl)phenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
• CAS No.: 93941-60-7
• Molecular Formula: C33H29 N3 O9 S2
• Molecular Weight: 675.72806
• European Community (EC) Number: 300-509-0
• DSSTox Substance ID: DTXSID501107614
• Nikkaji Number: J310.481H
• Mol file: 93941-60-7.mol

Synonyms:93941-60-7;EINECS 300-509-0;5-(Benzoylamino)-3-((3-(4-(tert-butyl)phenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid;5-(benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid;C33H29N3O9S2;DTXSID501107614;C33-H29-N3-O9-S2;2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[3-[4-(1,1-dimethylethyl)phenoxy]phenyl]diazenyl]-4-hydroxy-;2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[3-[4-(1,1-dimethylethyl)phenoxy]phenyl]azo]-4-hydroxy-;5-(Benzoylamino)-3-[[3-[4-(1,1-dimethylethyl)phenoxy]phenyl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid;5-(Benzoylamino)-3-[2-[3-[4-(1,1-dimethylethyl)phenoxy]phenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid

Chemical Property of 5-(Benzoylamino)-3-((3-(4-(tert-butyl)phenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.42g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 675.13452186
• Heavy Atom Count: 47
• Complexity: 1310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)NC(=O)C5=CC=CC=C5)O

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