C.I. Acid brown 75

CAT: 0931-T85940-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T85940-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6637-87-2

Target

Others

Related Pathways

Others

Bioactivity

C.I. Acid Brown 75, an acidic brown dye, can be adsorbed and removed by bentone clay.

Smiles

OC(C(/N=N/C1=CC=C(C=C1)[N+]([O-])=O)=C(C(/N=N/C2=C(C([N+]([O-])=O)=CC([N+]([O-])=O)=C2)O)=C3)O)=C3/N=N/C4=CC(S(=O)([O-])=O)=CC5=C4C(O)=CC(S(=O)([O-])=O)=C5.[Na+].[Na+]

Molecular Formula

C28H15N9Na2O16S2

Molecular Weight

843.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Disodium 4-((2,4-dihydroxy-5-((2-hydroxy-3,5-dinitrophenyl)azo)-3-((4-nitrophenyl)azo)phenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate

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CAS Number	6637-87-2
PubChem CID	16131135
IUPAC Name	disodium;4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
Molecular Formula	C28H15N9Na2O16S2
Molecular Weight	843.6
Topological Polar Surface Area	424
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	6
Heavy Atom Count	57
Formal Charge	0
Complexity	1690

SMILES

C1=CC(=CC=C1N=NC2=C(C(=CC(=C2O)N=NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])N=NC5=C(C(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])O)O)[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H17N9O16S2.2Na/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

InChIKey

SKCQDFLBBMGDPT-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 6637-87-2

CID: 16131135

Formula: C28H15N9Na2O16S2

MW: 843.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	843.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	6
Exact Mass	842.98735634
Monoisotopic Mass	842.98735634
Topological Polar Surface Area	424 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1690
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

Catalog	Name
HY-D0435	C.I. Acid brown 120
GTR19345722-01	C.I. Acid brown 83
HY-D0444	C.I. Acid brown 121
sc-358083	C.I.Acid Brown 4
HY-D0452	C.I. Acid brown 75
HY-D0459	C.I. Pigment brown 25
GT3092-100g	Bismarck Brown (C.I. 21010)
GTR19345674-01	C.I. Mordant Brown 1
MBS5772327	C.I. Vat Brown 3
abx186398	C.I.Vat Brown 1

C.I. Acid brown 75

Chemical Information

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