2,5′-Dibromo-2′-hydroxyacetophenone - ≥96% , CAS No.67029-74-7

CAS: 67029-74-7 Cat. No.: D469519 분자식: C₈H₆Br₂O₂ 분자량: 293.94 EC 번호: 624-163-8

등급 & 순도 ≥96%

Synonyms

2,5'-dibromo-2'-hydroxyacetophenone | AKOS016003488 | 2-bromo-1-(5-bromo-2-hydroxyphenyl)ethanone | 2-bromo-1-(5-bromo-2-hydroxy-phenyl)ethanone | DTXSID80373587 | Ethanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)- | 2,5'-Dibromo-2'-hydroxyacetophenone, 97% |

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

2,5'-dibromo-2'-hydroxyacetophenone | AKOS016003488 | 2-bromo-1-(5-bromo-2-hydroxyphenyl)ethanone | 2-bromo-1-(5-bromo-2-hydroxy-phenyl)ethanone | DTXSID80373587 | Ethanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)- | 2,5'-Dibromo-2'-hydroxyacetophenone, 97% |

사양 및 순도

≥96%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

Pubchem Sid

488193035

정식 스마일

C1=CC(=C(C=C1Br)C(=O)CBr)O

IUPAC Name

2-bromo-1-(5-bromo-2-hydroxyphenyl)ethanone

InChIKey

FZIUHYVCSFQKFC-UHFFFAOYSA-N

INCHI

1S/C8H6Br2O2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2

이성체 SMILES

C1=CC(=C(C=C1Br)C(=O)CBr)O

UN 번호

2811

분자량

293.94

Reaxy-Rn

2088165

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: P-bromophenols Benzoyl derivatives Aryl alkyl ketones Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous acid - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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
• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 녹는점(°C): 66-70℃
• 분자량: 293.940 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.871 Da
• Monoisotopic Mass: 291.873 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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 is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 67029-74-7, the molecular formula is C8H6Br2O2, and the molecular weight is 293.94 g/mol. InChIKey FZIUHYVCSFQKFC-UHFFFAOYSA-N.

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.