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Ethyl orange - indicator grade, high purity , CAS No.62758-12-7
Basic Description
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
Specifications & Purity
indicator
Shipped In
Normal
Grade
indicator
Product Description
Transition interval(pH)：3.0(red) to 4.8(orange)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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
Description
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.
Names and Identifiers
Pubchem Sid
488200488
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488200488
IUPAC Name
sodium;4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate
INCHI
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
InChIKey
YZORUOZKRBVLEG-UHFFFAOYSA-M
Smiles
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
Molecular Weight
355.39
Reaxy-Rn
3821641
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3821641&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
355.400 g/mol
XLogP3
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
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I1712043