4-((4-Aminophenyl)diazenyl)benzenesulfonic acid

HCID 17224

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Basic information

CAS: 104-23-4
Standard SMILES: Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1
InChIKey: PPVRMPPLECDING-UHFFFAOYSA-N
Molecular formula: C12H11N3O3S
Average molar mass: 277.3 g/mol
Monoisotopic mass: 277.05211221

Overview

See also: 4-Aminoazobenzene-4'-sulfonic acid (annotation moved to).

Names & identifiers

Preferred name: 4-((4-Aminophenyl)diazenyl)benzenesulfonic acid
IUPAC: 4-[(4-aminophenyl)diazenyl]benzenesulfonic acid
English name: 4'-Aminoazobenzene-4-sulphonic acid
Molecular formula: C12H11N3O3S
Molecular weight: 277.3

Names & synonyms

104-23-44-((4-aminophenyl)diazenyl)benzenesulfonic acid4'-Aminoazobenzene-4-sulphonic acidC.I. Food Yellow 64-Aminoazobenzene-4'-sulfonic acidAminoazobenzenesulfonic acidC.I. 13011 (Free acid)4'-Sulfo-4-aminoazobenzene4'-Aminoazobenzene-4-sulfonic acid4-[(4-aminophenyl)diazenyl]benzenesulfonic acidp-((p-Aminophenyl)azo)benzenesulfonic acidp-Aminoazobenzene-4'-sulfonic acid

Show more names

P-AMINO AZOBENZENE-4-SULPHONIC ACID4'PAABSANsc4704PAAB4SAc.i.foodyellow64'-Aminoazobenzene-4

Benzenesulfonic acid, 4-((4-aminophenyl)azo)-MFCD00035778C.I. Food Yellow 6 (VAN)G5U4TU950KBenzenesulfonic acid, 4-[(4-aminophenyl)azo]-NSC-4704(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acidBenzenesulfonic acid, 4-(2-(4-aminophenyl)diazenyl)-

Database identifiers

CAS: 104-23-4
PubChem CID: 17224
DTXSID: DTXSID4041731
UNII: G5U4TU950K
Nikkaji: J806K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 113 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 402

Physicochemical properties

Boiling point: 477.42 ℃[at · 477.42℃[at 101 325 Pa]
Density: 1.3764 · 1.3764 (rough estimate)
vapor pressure: 0 · 0-0Pa at 25℃
refractive index: 1.663 · 1.6630 (estimate)
solubility: 345.945 mg/L · 345.945mg/L in organic solvents at 20 ℃
pka: -1.1 · -1.10±0.50(Predicted)
Water Solubility: 513 · 513-1320mg/L at 37℃
InChI: InChI=1S/C12H11N3O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18/h1-8H,13H2,(H,16,17,18)
InChIKey: PPVRMPPLECDING-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=CC=C(N=NC2=CC=C(N)C=C2)C=C1
LogP: -0.352 at · -0.352 at 37℃
CAS DataBase Reference: 104 · 104-23-4(CAS DataBase Reference)
FDA UNII: 5 U4TU950K · G5U4TU950K
EPA Substance Registry System: 6 · C.I. Food Yellow 6 (104-23-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

Uses4''-Aminoazobenzene-4-sulphonic Acid can be used in photocatalytic wastewater treatment

General Description4'-Aminoazobenzene-4-sulphonic acid, also known as 4-((4-aminophenyl)diazenyl)benzenesulfonic acid, is an important organic intermediate compound that can be used for the coupling of (arylamino)methanesulfonic acid and the preparation of dyes.

Preparation methods

Preparation4-(Phenyldiazenyl)benzenaminesulfonated.

Upstream & downstream products

Upstream raw materials

4-Aminoazobenzene

Downstream products

4-[[4-[(2,4-Dinitrophenyl)amino]phenyl]azo]benzenesulfonic acid sodium salt Acid red 351 Acid Red 142 disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate CHLORANTINE FAST RED 5B disodium 7-hydroxy-8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate SOLOCHROME ORANGE Acid red 151 disodium 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate Mordant orange 10 2-Naphthalenesulfonic acid, 7-[[4,6-bis[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

2 records

New reaction record

HRID 21678As productuspto-grants-1995_06

HRID 979280As reactantuspto-grants-1987_05

Compound notes

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