2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- supplier

Name
(3Z)-5-amino-6-[(E)-{4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl}diazenyl]-3-(2-{4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl}hydrazinylidene)-4-oxo-3,4-dihydronaphthalene-2,7-disulfonic acid
EINECS
CAS No. 116962-64-2
Density 1.819g/cm³
Solubility
Melting Point
Formula C34H25 N9 O13 S2
Boiling Point
Molecular Weight 831.80
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-[(2,4,6-trihydroxyphenyl)azo]phenyl]azo]-(9CI)
PSA
LogP

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- Chemical Properties

Product Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- (CAS NO.116962-64-2)

Molecular Formula: C₃₄H₂₅N₉O₁₃S₂
Molecular Weight: 831.80g/mol
Mol File: 116962-64-2.mol
Density: 1.819 g/cm³
Surface Tension: 92.24 dyne/cm
XLogP3-AA: 2.9
H-Bond Donor: 10
H-Bond Acceptor: 22
Structure Descriptors of 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- (CAS NO.116962-64-2):
IUPAC Name: (6Z)-4-amino-3-[4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl-6-[[4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
Canonical SMILES: C1=CC(=CC=C1NN=C2C(=CC(=O)C=C2O)O)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)NN=C6C(=CC(=O)C=C6O)O)S(=O)(=O)O)S(=O)(=O)O
Isomeric SMILES: C1=CC(=CC=C1NN=C2C(=CC(=O)C=C2O)O)N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)NN=C6C(=CC(=O)C=C6O)O)S(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C34H25N9O13S2/c35-29-28-15(9-26(57(51,52)53)32(29)42-38-18-5-1-16(2-6-18)36-40-30-22(46)11-20(44)12-23(30)47)
10-27(58(54,55)56)33(34(28)50)43-39-19-7-3-17(4-8-19)37-41-31-24(48)13-21(45)14-25(31)49/h1-14,36-37,39,46-49H,35H2,(H,51,52,53)(H,54,55,56)/b42-38?,43-33+
InChIKey: WSCAJOAHOWZZPZ-VBFDJFJVSA-N

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- Toxicity Data With Reference

mic-sat 100 µLg/plate

MUTAEX Mutagenesis. 3 (1988),311.

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)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

(3Z)-5-amino-6-[(E)-{4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl}diazenyl]-3-(2-{4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl}hydrazinylidene)-4-oxo-3,4-dihydronaphthalene-2,7-disulfonic acid

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- Chemical Properties

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- Toxicity Data With Reference

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-5-hydroxy- Safety Profile

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