Bordeaux Red - Biological stain , CAS No.5858-33-3

CAS: 5858-33-3 Cat. No.: B405675 분자식: C₂₀H₁₂N₂Na₂O₇S₂ 분자량: 502.42 EC 번호: 227-489-5

GRADE & PURITY Biological Stain

Synonyms

B0779 | Calcolake Bordeaux BXL | MFCD00003887 | Java Bordeaux B | Acid Bordeaux | Acid Bordeaux B (VAN) | UNII-Y443D49605 | Naphthalene Bordeaux B | Brilliant Bordeaux B | AKOS024319601 | CI ACID RED 17 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(1-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

B0779 | Calcolake Bordeaux BXL | MFCD00003887 | Java Bordeaux B | Acid Bordeaux | Acid Bordeaux B (VAN) | UNII-Y443D49605 | Naphthalene Bordeaux B | Brilliant Bordeaux B | AKOS024319601 | CI ACID RED 17 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(1-

사양 및 순도

Biological stain

보관 조건

Argon charged,Room temperature

배송

Normal

등급

Biological Stain

이름과 식별자

• Pubchem Sid: 488182741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182741
• 정식 스마일: C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate
• InChIKey: LHRXTFDXJQAGAV-UHFFFAOYSA-L
• INCHI: 1S/C20H14N2O7S2.2Na/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• 이성체 SMILES: C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• RTECS: QJ6479500
• 분자량: 502.42
• Reaxy-Rn: 7161902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7161902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass 1,1'-azonaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: 1,1'-azonaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,1'-azonaphthalenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1,1'-azonaphthalene - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings.
• 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

• 감도: Moisture sensitive
• 분자량: 502.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 501.988 Da
• Monoisotopic Mass: 501.988 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 854.000
• 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