Basic information
- CAS
5850-16-8- Standard SMILES
O=c1ccc(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c(=O)c1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]- InChIKey
UTIACSXEVKXHPT-UHFFFAOYSA-L- Molecular formula
- C26H16N4Na2O8S2
- Average molar mass
- 622.5 g/mol
- Monoisotopic mass
- 622.02049439
Overview
See other relationships...
Names & identifiers
- Preferred name
- c.i. acid brown 14, disodium salt
- IUPAC
- disodium;4-[2-[4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
- English name
- Acid Brown 14
- Molecular formula
- C26H18N4O8S2.2Na
- Molecular weight
- 624.56
Names & synonyms
C.I. ACID BROWN 14, DISODIUM SALT1-Naphthalenesulfonic acid, 4,4'-((2,4-dihydroxy-1,3-phenylene)bis(2,1-diazenediyl))bis-, sodium salt (1:2)DTXSID2041707RefChem:572036DTXCID0014743571-Naphthalenesulfonic acid, 4,4'-[(2,4-dihydroxy-1,3-phenylene)bis(2,1-diazenediyl)]bis-, sodium salt (1:2)C.I. Acid Brown 14, disodium salt (8CI)5850-16-8Acid Brown 14Acid Brown MC.I. 20195C26H16N4Na2O8S2
Show more names
NSC75909Brown RDC.I.20195echtbrownNSC 75909NSC-75909ECHT BROWN NAcid Brown RXAcid Brown GR
Sodium 4,4'-((2,4-dihydroxy-1,3-phenylene)bis(diazene-2,1-diyl))bis(naphthalene-1-sulfonate)SCHEMBL29446915SCHEMBL29446916Disodium 4,4'-(2,4-dihydroxy-1,3-phenylene)bis(azo)bisnaphthalene-1-sulphonateUTIACSXEVKXHPT-UHFFFAOYSA-LC.I.Acid Brown 14 (C.I.20195)Q27272603disodium;4-[2-[4,6-dioxo-5-[(4-sulfonato-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,290
Physicochemical properties
- Density
- 1.744 · 1.744[at 20℃]
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- form
- powder to crystal
- Colour Index
- 20195 · 20195
- color
- Orange to Brown
- Water Solubility
- 1.55 g/L · 1.55g/L at 20℃
- LogP
- -2.019 at · -2.019 at 20℃
- CAS DataBase Reference
- 5850 · 5850-16-8(CAS DataBase Reference)
- FDA UNII
- 9 J2D436891 · 9J2D436891
- EPA Substance Registry System
- 14 · C.I. Acid Brown 14, disodium salt (5850-16-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- HS Code
- 2927 · 2927.00.5000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
EPA Safer ChemicalChemical: C.I. Acid Brown 14, disodium salt
Safety data
- tsca
- TSCA listed
- hs_code
- 2927.00.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
General Manufacturing Information1-Naphthalenesulfonic acid, 4,4'-[(2,4-dihydroxy-1,3-phenylene)bis(2,1-diazenediyl)]bis-, sodium salt (1:2): ACTIVE
Applications
UsesAcid Brown M is an organic dye and a water pollutant, removed from the environment using visible light irradiation along with CuBi2O4/Bi3ClO4 photocatalysts.
Preparation methods
Preparation4-Aminonaphthalene-1-sulfonic acid (2 Moore) diazo, Coupled with resorcinol.
Upstream & downstream products
Upstream raw materials
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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