2-Bromooxanthrene - ≥97% , CAS No.105906-36-3

CAS: 105906-36-3 Cat. No.: B1040750 분자식: C₁₂H₇BrO₂ 분자량: 263.09 PubChem CID: 60059

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Br

IUPAC Name

2-bromodibenzo-p-dioxin

InChIKey

GSUCEGNAROQSGU-UHFFFAOYSA-N

INCHI

1S/C12H7BrO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

이성체 SMILES

C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Br

PubChem CID

60059

분자량

263.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzodioxins
      • Subclass Benzo-p-dioxins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzodioxins
• Subclass: Benzo-p-dioxins
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzo-p-dioxins
• Alternative Parents: Diarylethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzo-p-dioxin - Diaryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as dibenzo-p-dioxins. These are compounds containing a dibenzo-p-dioxin moiety, which consists of two benzene connected by a para-dioxin 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

• 분자량: 263.090 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.963 Da
• Monoisotopic Mass: 261.963 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• 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

자주 묻는 질문

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 105906-36-3, the molecular formula is C12H7BrO2, and the molecular weight is 263.09 g/mol. InChIKey GSUCEGNAROQSGU-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.