Orange Ⅳ - indicator , CAS No.554-73-4

CAS: 554-73-4 Cat. No.: O112780 Peso molecular: 375.38 Número EC: 209-071-4

GRADE & PURITY Indicator

Synonyms

MFCD00038130 | Sodium 4-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate | VR8Q3R288W | FT-0682673 | NSC-10456 | Orange IV | Tropeolin OO | Acid Orange 5 | SY066681 | DTXSID8060294 | AKOS005111000 | 1.1'-carbonyl-diimidazole | Q6270611 | Orange 4 Lake | Ter

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00038130 | Sodium 4-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate | VR8Q3R288W | FT-0682673 | NSC-10456 | Orange IV | Tropeolin OO | Acid Orange 5 | SY066681 | DTXSID8060294 | AKOS005111000 | 1.1'-carbonyl-diimidazole | Q6270611 | Orange 4 Lake | Ter

Especificaciones y pureza

indicator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Indicator

Nombres e identificadores

• Pubchem Sid: 488200440
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200440
• Sonrisas canónicas: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-[(4-anilinophenyl)diazenyl]benzenesulfonate
• InChIKey: MLVYOYVMOZFHIU-UHFFFAOYSA-M
• INCHI: 1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• Peso molecular: 375.38
• Reaxy-Rn: 3831566
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3831566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Primary aromatic amines Sulfonyls Organosulfonic acids Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic salt - Amine - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 375.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 375.065 Da
• Monoisotopic Mass: 375.065 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Hua Lin, Kaiwei Chen, Linlin Du, Peng Gao, Junli Zheng, Yuanli Liu, Lili Ma.  (2022)  Efficient and selective adsorption of methylene blue and methyl violet dyes by yellow passion fruit peel.  ENVIRONMENTAL TECHNOLOGY,      [PMID:33944677] [10.1080/09593330.2021.1924288]

2. Wenbo Liu, Chuanbin Fan, Ziao Zong, Nana Li, Kaixuan Ma, Bin Zhu, Xia Zhang, Yuhua Fan.  (2020)  Two Co(Ⅱ)-based metal organic frameworks for highly efficient removal of azo dyes from aqueous environment: Synthesis, selective adsorption and adsorption mechanism.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2020.125236]

3. Fangke Yu, Yang Chen, Yuwei Pan, Yang Yang, Hongrui Ma.  (2020)  A cost-effective production of hydrogen peroxide via improved mass transfer of oxygen for electro-Fenton process using the vertical flow reactor.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.116695]

4. Huan Wang, Yinmao Wei.  (2017)  Magnetic graphene oxide modified by chloride imidazole ionic liquid for the high-efficiency adsorption of anionic dyes.  RSC Advances,  7  (15): (9079-9089).  [PMID:] [10.1039/C6RA27530C]

5. Yan Fu, Nan Lyu, Xia Tang, Ying Wang, Xiaohui Mou, Wentai Zhang, Siwei Yin, Mu Li, Na Bai, Nan Huang, Xin Li, Yifeng Lei, Jun Hou, Zhilu Yang.  (2025)  Glutathione peroxidase mimic-engineered α-lactalbumin self-assembling coatings tailor immunomodulatory vascular stents for suppressing restenosis.  Bioactive Materials,      [PMID:41438204] [10.1016/j.bioactmat.2025.11.042]