3'-Bromo-5'-chloro-2'-hydroxyacetophenone - ≥97%(GC) , CAS No.59443-15-1

CAS: 59443-15-1 Cat. No.: B136413 분자식: C₈H₆BrClO₂ 분자량: 249.49 EC 번호: 626-689-3

등급 & 순도 ≥97%(GC)

Synonyms

SCHEMBL221422 | A832321 | AC-23688 | 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone | 3'-Bromo-5'-chloro-2'-hydroxy acetophenone | B2236 | DTXSID50370785 | FFAVKFQPEOGJOA-UHFFFAOYSA-N | 3'-Bromo-5'-chloro-2

Storage

Room temperature

Shipped In

Normal

개요

Product Description：

3′-Bromo-5′-chloro-2′-hydroxyacetophenone is a halogenated aromatic hydroxyl ketone. It participates in the synthesis of racemates of 8-bromo-6-chloro-2-alkyl substituted chroman-4-ones.

Product Application：

3′-Bromo-5′-chloro-2′-hydroxyacetophenone (3-bromo-5-chloro-2-hydroxyacetophenone) may be used in the synthesis of corresponding chalcones and structurally related dienones by reacting with appropriate aldehydes.
It may also be used in the preparation of the bioactive 8-bromo-6-chloro-2-substituted 4-chromanone.

사양

동의어

SCHEMBL221422 | A832321 | AC-23688 | 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone | 3'-Bromo-5'-chloro-2'-hydroxy acetophenone | B2236 | DTXSID50370785 | FFAVKFQPEOGJOA-UHFFFAOYSA-N | 3'-Bromo-5'-chloro-2

사양 및 순도

≥97%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488192726

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192726

정식 스마일

CC(=O)C1=C(C(=CC(=C1)Cl)Br)O

IUPAC Name

1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone

InChIKey

FFAVKFQPEOGJOA-UHFFFAOYSA-N

INCHI

1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3

이성체 SMILES

CC(=O)C1=C(C(=CC(=C1)Cl)Br)O

WGK 독일

3

분자량

249.49

Reaxy-Rn

2047319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047319&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: Acetophenones P-chlorophenols O-bromophenols Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - 2-halophenol - 2-bromophenol - 4-chlorophenol - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl chloride - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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

• 녹는점(°C): 100 °C
• 분자량: 249.490 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.924 Da
• Monoisotopic Mass: 247.924 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 59443-15-1, the molecular formula is C8H6BrClO2, and the molecular weight is 249.49 g/mol. InChIKey FFAVKFQPEOGJOA-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.