Ethyl orange - indicator , CAS No.62758-12-7

CAS: 62758-12-7 Cat. No.: E121941 分子式: C₁₆H₁₈N₃NaO₃S 分子量: 355.39 EC番号: 263-716-4

GRADE & PURITY Indicator

Synonyms

MFCD00007503 | Benzenesulfonic acid, 4-((4-(diethylamino)phenyl)azo)-, sodium salt | FT-0626355 | AKOS015915367 | Ethyl Orange sodium salt, indicator grade, Dye content 90 % | sodium (E)-4-((4-(diethylamino)phenyl)diazenyl)benzenesulfonate | 1514898-46-4

Storage

Room temperature

Shipped In

Normal

概要

Transition interval(pH)：3.0(red) to 4.8(orange)

Specifications

同義語

MFCD00007503 | Benzenesulfonic acid, 4-((4-(diethylamino)phenyl)azo)-, sodium salt | FT-0626355 | AKOS015915367 | Ethyl Orange sodium salt, indicator grade, Dye content 90 % | sodium (E)-4-((4-(diethylamino)phenyl)diazenyl)benzenesulfonate | 1514898-46-4

仕様と純度

indicator

保管条件

Room temperature

入荷

Normal

等級

指標

名前と識別子

• パブケム・シド: 488200488
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488200488
• カノニカル・スマイル: CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate
• InChIKey: YZORUOZKRBVLEG-UHFFFAOYSA-M
• INCHI: 1S/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1
• 異性体SMILES: CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
• 分子量: 355.39
• Reaxy-Rn: 3821641
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3821641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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 Dialkylarylamines Aniline and substituted anilines Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Tertiary amine - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 355.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 355.097 Da
• Monoisotopic Mass: 355.097 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 475.000
• 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