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Eriochrome Black T

CAT: 0013-GTR19202546-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202546-01Size:25 mg
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Description
Eriochrome Black T is a metallochromic indicator used in complexometric titrations, such as the determination of water hardness and metal ion analysis in environmental and biochemical research. Its application is primarily in vitro, including analytical chemistry protocols and laboratory water quality testing.
CAS Number
1787-61-7
Smiles
[Na].O=N (=O) C1=CC=C2C (N=NC=3C=CC=4C=CC=CC4C3O) =C (O) C=C (C2=C1) S (=O) (=O) O
Molecular Formula
C20H13N3NaO7S
Molecular Weight
462.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C.I. Mordant Black 11, monosodium salt

See also: Eriochrome Black T (annotation moved to).

CAS Number1787-61-7
PubChem CID135465089
IUPAC Namesodium 3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
Molecular FormulaC20H12N3NaO7S
Molecular Weight461.4
Topological Polar Surface Area177
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity782
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
InChI
InChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1
InChIKey
AMMWFYKTZVIRFN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of C.I. Mordant Black 11, monosodium salt
CAS: 1787-61-7
CID: 135465089
Formula: C20H12N3NaO7S
MW: 461.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass461.02936519
Monoisotopic Mass461.02936519
Topological Polar Surface Area177 Ų
Heavy Atom Count32
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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