Nitrazine yellow - indicator , CAS No.5423-07-4

CAS: 5423-07-4 Cat. No.: N105017 분자식: C₁₆H₈N₄Na₂O₁₁S₂ 분자량: 542.36 EC 번호: 226-549-8

GRADE & PURITY Indicator

Synonyms

4U1WVN6KUX | SCHEMBL155287 | delta Paper, indicator | Q27260493 | SCHEMBL8380112 | AKOS015903448 | sodium (E)-3-((2,4-dinitrophenyl)diazenyl)-4-hydroxynaphthalene-2,7-disulfonate | Nitrazol Yellow | starbld0009631 | Nitrazine paper | Phenaphthazine

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Nitrazine Yellow is a pH indicator with a variety of applications.
A pH indicator with a variety of applications

Specifications

동의어

4U1WVN6KUX | SCHEMBL155287 | delta Paper, indicator | Q27260493 | SCHEMBL8380112 | AKOS015903448 | sodium (E)-3-((2,4-dinitrophenyl)diazenyl)-4-hydroxynaphthalene-2,7-disulfonate | Nitrazol Yellow | starbld0009631 | Nitrazine paper | Phenaphthazine

사양 및 순도

indicator

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

지표

이름과 식별자

Pubchem Sid

508815189

정식 스마일

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

InChIKey

XBLIFEQTVVSTIM-UHFFFAOYSA-L

INCHI

1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2

이성체 SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

분자량

542.36

Reaxy-Rn

3888558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3888558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organic nitro compound - C-nitro compound - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused 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

• 용해성: Soluble in water
• 감도: Moisture sensitive.
• 분자량: 542.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 541.943 Da
• Monoisotopic Mass: 541.943 Da
• Topological Polar Surface Area: 268.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 969.000
• 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: 3

XLogP3