Disodium 8-anilino-5-[(E)-{4-[(E)-(4-chloro-3-sulfonatophenyl)diazenyl]naphthalen-1-yl}diazenyl]naphthalene-1-sulfonate

Base Information

• Chemical Name: Disodium 8-anilino-5-[(E)-{4-[(E)-(4-chloro-3-sulfonatophenyl)diazenyl]naphthalen-1-yl}diazenyl]naphthalene-1-sulfonate
• CAS No.: 6527-62-4
• Molecular Formula: C32H20ClN5Na2O6S2
• Molecular Weight: 0
• European Community (EC) Number: 413-600-6
• DSSTox Substance ID: DTXSID00474929
• Nikkaji Number: J36.914D
• Mol file: 6527-62-4.mol

Synonyms:6527-62-4;C.I. Acid Blue 114;DTXSID00474929;Disodium 8-anilino-5-[(E)-{4-[(E)-(4-chloro-3-sulfonatophenyl)diazenyl]naphthalen-1-yl}diazenyl]naphthalene-1-sulfonate;C.I.26361;1-Naphthalenesulfonic acid, 5-[[4-[(4-chloro-3-sulfophenyl)azo]-1-naphthalenyl]azo]-8-(phenylamino)-, disodium salt

Chemical Property of Disodium 8-anilino-5-[(E)-{4-[(E)-(4-chloro-3-sulfonatophenyl)diazenyl]naphthalen-1-yl}diazenyl]naphthalene-1-sulfonate

Chemical Property:

• PSA: 192.63000
• LogP: 11.26360
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 715.0338920
• Heavy Atom Count: 48
• Complexity: 1270

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=C(C=C6)Cl)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

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