C.I. Acid Blue 113 (CED0170952)

Record Information

Version

1.0

Creation Date

2026-04-05 16:44:14 UTC

Update Date

2026-04-17 16:51:24 UTC

Accession Number

CHEM104647

Identification

Common Name

C.I. Acid Blue 113

Class

Small Molecule

Description

C.I. Acid Blue 113 is an organic compound with the chemical formula C32H21N5Na2O6S2. C.I. Acid Blue 113 belongs to the 1,1'-azonaphthalenes, a subclass of naphthalenes within the organic compounds. With an average molecular weight of 681.65 g/mol, C.I. Acid Blue 113 is a heavy molecule. This compound is identified as a member of the benzenoids superclass. It has been found in or released from two recorded sources: household cleaning and consumer products, specifically bleaching agents, and electrical and electronic equipment, specifically discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₂H₂₁N₅Na₂O₆S₂

Average Molecular Mass

681.650 g/mol

Monoisotopic Mass

681.073 g/mol

CAS Registry Number

01-05-51

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)N=NC1=CC=C(N=NC2=CC=C(NC3=CC=CC=C3)C3=C2C=CC=C3S([O-])(=O)=O)C2=C1C=CC=C2

InChI Identifier

InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

InChI Key

XPRMZBUQQMPKCR-UHFFFAOYSA-L

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	10.1982
Click to view 3D structure	Transitional endoplasmic reticulum ATPase	Q01853	Mus musculus	Predicted (SEA)	0.700643
Click to view 3D structure	P2X purinoceptor 2	P49653	Rattus norvegicus	Predicted (SEA)	14.0907
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	32.4631
Click to view 3D structure	P2Y purinoceptor 4	P51582	Humans	Predicted (SEA)	9.9647
Click to view 3D structure	P2X purinoceptor 4	P51577	Rattus norvegicus	Predicted (SEA)	12.3002
Click to view 3D structure	P2Y purinoceptor 6	Q15077	Humans	Predicted (SEA)	10.3539
Click to view 3D structure	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	5'-nucleotidase	P21588	Rattus norvegicus	Predicted (SEA)	16.8154
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	Nucleoside triphosphate diphosphohydrolase 3	A6I415	Rattus norvegicus	Predicted (SEA)	1.08989
Click to view 3D structure	P2Y purinoceptor 6	Q63371	Rattus norvegicus	Predicted (SEA)	8.48557
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	108.288
Click to view 3D structure	P2X purinoceptor 1	P47824	Rattus norvegicus	Predicted (SEA)	13.1565
Click to view 3D structure	Sentrin-specific protease 1	Q9P0U3	Humans	Predicted (SEA)	9.26406
Click to view 3D structure	Choline O-acetyltransferase	P28329	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	890.206
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	707.649
Click to view 3D structure	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	668.88
Click to view 3D structure	Signal transducer and activator of transcription 5A	P42229	Humans	Predicted (SEA)	4.7488
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	184.581
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	2330.57
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	108.755
Click to view 3D structure	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	P96878	Mycobacterium tuberculosis	Predicted (SEA)	146.123