Orange Ⅳ Indicator - 0.5% , CAS No.554-73-4

CAS: 554-73-4 Cat. No.: O299256 분자식: C₁₈H₁₄N₃NaO₃S 분자량: 375.38 EC 번호: 209-071-4

GRADE & PURITY 0.5%

Synonyms

Tropaeolin OO|554-73-4|Orange IV|OrangeIV|Acid Orange 5|Diphenylamine Orange|C.I. Acid Orange 5|Orange GS|C.I. 13080|Tropeolin OO|Orange N|Solar Orange IV|Acid Yellow D|Orange 4 Lake|Hispacid Orange IV|Tertracid Orange IV|VR8Q3R288W|sodium;4-[(4-anilinoph

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Tropaeolin OO | 554-73-4 | Orange IV | OrangeIV | Acid Orange 5 | Diphenylamine Orange | C.I. Acid Orange 5 | Orange GS | C.I. 13080 | Tropeolin OO | Orange N | Solar Orange IV | Acid Yellow D | Orange 4 Lake | Hispacid Orange IV | Tertracid Orange IV | VR8Q3R288W | sodium;4-[(4-anilinoph

사양 및 순도

0.5%

보관 조건

Room temperature

배송

Normal

이름과 식별자

정식 스마일

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

이성체 SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

분자량

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
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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