2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- supplier

Name
2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-3,6-bis[2-[4-[2-(3,3',5,5'-tetrahydroxy[1,1'-biphenyl]-4-yl)diazenyl]phenyl]diazenyl]-
EINECS
CAS No. 116962-65-3
Density
Solubility
Melting Point
Formula C46H33 N9 O15 S2
Boiling Point
Molecular Weight 1016.00
Flash Point
Transport Information
Appearance
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and SO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-3,6-bis[[4-[(3,3',5,5'-tetrahydroxy[1,1'-biphenyl]-4-yl)azo]phenyl]azo]-(9CI)
PSA
LogP

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Chemical Properties

Product Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- (CAS NO.116962-65-3)

Molecular Formula: C₄₆H₃₃N₉O₁₅S₂
Molecular Weight: 1016.00g/mol
Mol File: 116962-65-3.mol
XLogP3-AA: 4.8
H-Bond Donor: 12
H-Bond Acceptor: 24
Structure Descriptors of 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- (CAS NO.116962-65-3):
IUPAC Name: (6Z)-4-amino-3-[4-[(2E)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]diazenyl-6-[[4-[(2Z)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
Canonical SMILES: C1=CC(=CC=C1NN=C2C(=CC(=CC2=O)C3=CC(=CC(=C3)O)O)O)NN=C4C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)NN=C7C(=CC(=CC7=O)C8=CC(=CC(=C8)O)O)O)S(=O)(=O)O)S(=O)(=O)O
Isomeric SMILES: C1=CC(=CC=C1N/N=C\2/C(=CC(=CC2=O)C3=CC(=CC(=C3)O)O)O)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)N/N=C/7\C(=CC(=CC7=O)C8=CC(=CC(=C8)O)O)O)S(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C46H33N9O15S2/c47-41-40-25(17-38(71(65,66)67)44(41)54-50-28-5-1-26(2-6-28)48-52-42-34(60)13-23(14-35(42)61)21-9-30(56)19-31(57)10-21)18-39(72(68,69)70)45(46(40)64)55-51-29-7-3-27(4-8-29)49-53-43-36(62)15-24(16-37(43)63)22-11-32(58)20-33(59)12-22/h1-20,48-49,51,56-60,62H,47H2,(H,65,66,67)(H,68,69,70)/b52-42+,53-43-,54-50?,55-45+
InChIKey: BMHHXNIPWUUWAU-WOITVMJMSA-N

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Toxicity Data With Reference

mic-sat 10 µLg/plate

MUTAEX Mutagenesis. 3 (1988),311.

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

Product Name

2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-3,6-bis[2-[4-[2-(3,3',5,5'-tetrahydroxy[1,1'-biphenyl]-4-yl)diazenyl]phenyl]diazenyl]-

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Chemical Properties

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Toxicity Data With Reference

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((3,3',5,5'-tetrahydroxy(1,1'-biphenyl)-4-yl)azo)phenyl)azo)-5-hydroxy- Safety Profile

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