2-Bromomethyl-anthraquinone - ≥97% , CAS No.7598-10-9

CAS: 7598-10-9 Cat. No.: B331106 Peso molecular: 301.13 Beilstein Registry Number: 2276854 Número EC: 625-071-0

GRADE & PURITY ≥97%

Synonyms

DTXSID30322484 | 2-(Bromomethyl)Anthraquinone | 2-Bromomethylanthraquinone | 2-Bromomethyl-anthraquinone | 2-bromomethyl-9,10-anthraquinone | AS-81315 | NSC401357 | NSC-401357 | SCHEMBL479017 | 2-Bromomethyl-anthraquinone, purum, >=97.0% (HPLC) | AKOS0049

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

This is a reagent that can be used for introducing the MAQ protecting group.

Specifications

Sinónimos

DTXSID30322484 | 2-(Bromomethyl)Anthraquinone | 2-Bromomethylanthraquinone | 2-Bromomethyl-anthraquinone | 2-bromomethyl-9, 10-anthraquinone | AS-81315 | NSC401357 | NSC-401357 | SCHEMBL479017 | 2-Bromomethyl-anthraquinone, purum, >=97.0% (HPLC) | AKOS0049

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189555
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CBr
• IUPAC Name: 2-(bromomethyl)anthracene-9,10-dione
• InChIKey: FCETXLHFBYOVCV-UHFFFAOYSA-N
• INCHI: 1S/C15H9BrO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CBr
• WGK Alemania: 3
• Número ONU: 3261
• Grupo de embalaje: II
• Peso molecular: 301.13
• Beilstein: 2276854
• Reaxy-Rn: 2276854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2276854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

• Índice de refracción: n20D1.68 (Predicted)
• Punto de ebullición (°C): ~470.8° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 203° C (lit.)(dec.)
• Peso molecular: 301.130 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 299.979 Da
• Monoisotopic Mass: 299.979 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 366.000
• 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: 1