Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]- (CED0106325)

Record Information

Version

1.0

Creation Date

2026-04-04 05:50:07 UTC

Update Date

2026-08-28 16:40:40 UTC

SynCED ID

CED0106325

Secondary Accession Numbers

CHEM071999

Identification

Common Name

Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]-

Class

Small Molecule

Description

Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]- is an organic compound with the formula C16H12N2O4S1 and an average molecular weight of 328.34 g/mol. Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]- belongs to the naphthols and derivatives, a subclass of naphthalenes within the organic compounds. This substance is further classified as a benzenoid. It has been identified in or released from two recorded sources, specifically food, food processing, and cookware, with a particular association with food preservation and the processing of meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1333 Orange	HMDB
4-(4-Sulfophenylazo)-1-naphthol	HMDB
4-(P-Sulfophenylazo)-1-naphthol, monosodium salt	HMDB
4-(P-Sulfophenylazo)-1-naphthol, sodium salt	HMDB
4-P-Sulfophenylazo-1-naphthol monosodium salt	HMDB
4-[(4-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid, 9ci	HMDB
a-Naphthol orange	HMDB
A.F. orange no. 1	HMDB
Acid leather orange I	HMDB
Acid orange 20	HMDB
Acid orange I	HMDB
Acid phosphine CL	HMDB
Aizen FOOD orange no. 1	HMDB
Aizen naphthol orange I	HMDB
Aizen orange I	HMDB
alpha -Naphthol orange	HMDB
C.I. 14600	HMDB
C.I. acid orange 20	HMDB
C.I. acid orange 20, monosodium salt	HMDB
Certiqual orange I	HMDB
D & C orange no. 3	HMDB
Dye orange no. 1	HMDB
Egacid orange GG	HMDB
Elgacid orange 2g	HMDB
Eniacid orange I	HMDB
Ext. D and C orange no. 3	HMDB
External D and C orange no. 3	HMDB
Extract D and C orange no. 3	HMDB
Extract D and C orange number 3	HMDB
F. d. C orange 1	HMDB
FD And C orange no. 1	HMDB
FDC Orange I	HMDB
Hispacid orange 1	HMDB
Java orange I	HMDB
Nankai acid orange I	HMDB
Naphthalene orange I	HMDB
Naphthol orange	HMDB
Neklacid orange 1	HMDB
Orange 1 sodium salt	HMDB
Orange I extra CONC. a export	HMDB
Orange I, sodium salt	HMDB
Orange im	HMDB
Orange S	HMDB
Sodium azo-alpha -naphtholsulfanilate	HMDB
Tertracid orange I	HMDB
Tropaeolin 000	HMDB
Tropaeolin 1	HMDB
Tropaeolin g	HMDB
Tropaeolin ooo no. 1	HMDB
Tropeolin 000-1	HMDB
4-[(Z)-2-(4-Hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate	Generator
4-[(Z)-2-(4-Hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulphonate	Generator
4-[(Z)-2-(4-Hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulphonic acid	Generator

Chemical Formula

C₁₆H₁₂N₂O₄S₁

Average Molecular Mass

328.340 g/mol

Monoisotopic Mass

328.052 g/mol

CAS Registry Number

574-69-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC1=C2C=CC=CC2=C(C=C1)N=NC1=CC=C(C=C1)S(O)(=O)=O

InChI Identifier

InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-

InChI Key

PURJGKXXWJKIQR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Naphthols and derivatives

Direct Parent

Naphthols and derivatives

Alternative Parents

Substituents

1-naphthol
Benzenesulfonate
Arylsulfonic acid or derivatives
Benzenesulfonyl group
1-sulfo,2-unsubstituted aromatic compound
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Organic sulfonic acid or derivatives
Sulfonyl
Organosulfonic acid
Organosulfonic acid or derivatives
Azo compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6968.0 Log mg/kg [3900:12000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.522 Statistical Significance 5.00e-05 Supporting Reference Compounds 10 E-value 0.389246
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	Prediction Confidence Score 0.413 Applicability Domain 0.511 Statistical Significance 2.00e-05 Supporting Reference Compounds 3 E-value 0.155698
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.389 Applicability Domain 0.522 Statistical Significance 4.70e-04 Supporting Reference Compounds 118 E-value 3.65891
Click to view 3D structure	Beta-ketoacyl-ACP-synthase III	O77078	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.354 Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.425 Statistical Significance 0.0173 Supporting Reference Compounds 472 E-value 134.991
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.425 Statistical Significance 0.0037 Supporting Reference Compounds 55 E-value 29.1935
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.425 Statistical Significance 0.0175 Supporting Reference Compounds 372 E-value 136.314
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.425 Statistical Significance 0.0157 Supporting Reference Compounds 332 E-value 122.068
Click to view 3D structure	Sentrin-specific protease 1	Q9P0U3	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.522 Statistical Significance 1.10e-04 Supporting Reference Compounds 18 E-value 0.856341
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.44 Statistical Significance 0.002 Supporting Reference Compounds 104 E-value 15.9591
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.444 Statistical Significance 0.0049 Supporting Reference Compounds 296 E-value 38.224
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.34 Statistical Significance 0.012 Supporting Reference Compounds 425 E-value 93.7305
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.339 Statistical Significance 0.0053 Supporting Reference Compounds 205 E-value 41.1044
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.411 Statistical Significance 0.0039 Supporting Reference Compounds 109 E-value 30.439
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.368 Statistical Significance 0.0363 Supporting Reference Compounds 407 E-value 282.904
Click to view 3D structure	Transitional endoplasmic reticulum ATPase	Q01853	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.295 Low confidence Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.394 Statistical Significance 0.004 Supporting Reference Compounds 108 E-value 31.3732
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.425 Statistical Significance 0.0285 Supporting Reference Compounds 242 E-value 221.715
Click to view 3D structure	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	P96878	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.328 Statistical Significance 0.0088 Supporting Reference Compounds 38 E-value 68.8187
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.44 Statistical Significance 0.009 Supporting Reference Compounds 147 E-value 70.22
Click to view 3D structure	Histone acetyltransferase KAT2B	Q92831	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.333 Statistical Significance 0.0013 Supporting Reference Compounds 43 E-value 9.88685
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.323 Statistical Significance 0.0354 Supporting Reference Compounds 237 E-value 275.508
Click to view 3D structure	Insulin-degrading enzyme	P14735	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.44 Statistical Significance 5.70e-04 Supporting Reference Compounds 38 E-value 4.43741
Click to view 3D structure	CREB-binding protein	Q92793	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.323 Statistical Significance 0.0047 Supporting Reference Compounds 66 E-value 36.4334