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

CAS: 7598-10-9 Cat. No.: B331106 Molecular Weight: 301.13 Beilstein Registry Number: 2276854 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189555
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CBr
• WGK Germany: 3
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 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
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20D1.68 (Predicted)
• Boil Point(°C): ~470.8° C at 760 mmHg (Predicted)
• Melt Point(°C): 203° C (lit.)(dec.)
• Molecular Weight: 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