Ethyl orange indicator - 0.1% , CAS No.62758-12-7

CAS: 62758-12-7 Cat. No.: E299261 分子式: C₁₆H₁₈N₃NaO₃S 分子量: 355.39 EC番号: 263-716-4

GRADE & PURITY 0.1%

Synonyms

62758-12-7|Ethyl orange|Ethyl Orange sodium salt|Benzenesulfonic acid, 4-[[4-(diethylamino)phenyl]azo]-, sodium salt|sodium (E)-4-((4-(diethylamino)phenyl)diazenyl)benzenesulfonate|Sodium p-[[p-(diethylamino)phenyl]azo]benzenesulphonate|sodium;4-[[4-(diet

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

62758-12-7 | Ethyl orange | Ethyl Orange sodium salt | Benzenesulfonic acid, 4-[[4-(diethylamino)phenyl]azo]-, sodium salt | sodium (E)-4-((4-(diethylamino)phenyl)diazenyl)benzenesulfonate | Sodium p-[[p-(diethylamino)phenyl]azo]benzenesulphonate | sodium;4-[[4-(diet

仕様と純度

0.1%

保管条件

Room temperature

入荷

Normal

名前と識別子

パブケム・シド

528769348

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