Sal sódica del azul de tetrabromofenol - Contenido de colorante 95% , CAS No.108321-10-4

CAS: 108321-10-4 Cat. No.: T332776 Peso molecular: 1007.53 Número EC: 600-863-9 PubChem CID: 4118680

GRADE & PURITY Dye content 95%

Synonyms

4-benciloxifenol (Monobenzona) | 3,3',3'',4,5,5',5'',6-Octabromofenolsulfonftaleína sal sódica | SCHEMBL144418 | AC-29270 | AKOS015964138 | AC-29269 | sodio 2,3,4,5-tetrabromo-6-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1

Storage

Temperatura ambiente

Shipped In

Normal

Descripción general

La sal sódica del azul de tetrabromofenol es un compuesto que se utiliza como colorante en la investigación biológica.

Specifications

Sinónimos

4-benciloxifenol (Monobenzona) | 3, 3', 3'', 4, 5, 5', 5'', 6-Octabromofenolsulfonftaleína sal sódica | SCHEMBL144418 | AC-29270 | AKOS015964138 | AC-29269 | sodio 2, 3, 4, 5-tetrabromo-6-[(3, 5-dibromo-4-hydroxy-phenyl)-(3, 5-dibromo-4-oxo-cyclohexa-2, 5-dien-1

Especificaciones y pureza

Contenido de colorante 95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504762854
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762854
• Sonrisas canónicas: C1=C(C=C(C(=C1Br)O)Br)C(=C2C=C(C(=O)C(=C2)Br)Br)C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2,3,4,5-tetrabromo-6-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
• InChIKey: GFMOPDHPAXHAQX-UHFFFAOYSA-M
• INCHI: 1S/C19H6Br8O5S.Na/c20-7-1-5(2-8(21)17(7)28)11(6-3-9(22)18(29)10(23)4-6)12-13(24)14(25)15(26)16(27)19(12)33(30,31)32;/h1-4,28H,(H,30,31,32);/q;+1/p-1
• Isómeros SMILES: C1=C(C=C(C(=C1Br)O)Br)C(=C2C=C(C(=O)C(=C2)Br)Br)C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 4118680
• Peso molecular: 1007.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzenesulfonic acids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds P-quinomethanes O-bromophenols Bromobenzenes Aryl bromides Sulfonyls Organosulfonic acids Alpha-haloketones Vinyl bromides Organic metal halides Bromoalkenes Organobromides Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 2-halophenol - 2-bromophenol - P-quinomethane - Quinomethane - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Organosulfonic acid - Alpha-haloketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Cyclic ketone - Vinyl bromide - Vinyl halide - Organic metal halide - Organic alkali metal salt - Bromoalkene - Haloalkene - Organic oxygen compound - Organic salt - Organohalogen compound - Organobromide - Organooxygen compound - Organic sodium salt - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Índice de refracción: n20D~1.78 (Predicted)
• Peso molecular: 1007.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 1007.31 Da
• Monoisotopic Mass: 999.322 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 977.000
• 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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