Congo Red

CAT: 0127-OR1012704-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1012704-01Size:100 g

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CAS Number

573-58-0

MDL Number

MFCD00004028

Purity

Smiles

[Na+].[Na+].Nc1c(cc(c2ccccc12)S(=O)(=O)[O-])\N=N\c3ccc(cc3)c4ccc(cc4)\N=N\c5cc(c6ccccc6c5N)S(=O)(=O)[O-]

Notes

Chemical Information

Congo red

Congo Red is an indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. It contains a 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate). It is functionally related to a 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid).

CAS Number	573-58-0
PubChem CID	11313
IUPAC Name	disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
Molecular Formula	C32H22N6Na2O6S2
Molecular Weight	696.7
Topological Polar Surface Area	233
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	48
Formal Charge	0
Complexity	1180

SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

InChIKey

IQFVPQOLBLOTPF-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 573-58-0

CID: 11313

Formula: C32H22N6Na2O6S2

MW: 696.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	696.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	696.08376335
Monoisotopic Mass	696.08376335
Topological Polar Surface Area	233 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

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B7766-5.1	Congo Red
C25100	Congo Rubin
40340025-1	Congo Red 1%

Congo Red

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