1-(4-Bromophenyl)-2-hydroxyethan-1-one - ≥95% , CAS No.3343-45-1

CAS: 3343-45-1 Cat. No.: B1073433 분자식: C₈H₇BrO₂ 분자량: 215.05 EC 번호: 874-688-3 PubChem CID: 520633

GRADE & PURITY ≥95%

Synonyms

4’-Bromo-2-hydroxyacetophenone | 1-(4-bromophenyl)-2-hydroxyethanone

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

4’-Bromo-2-hydroxyacetophenone | 1-(4-bromophenyl)-2-hydroxyethanone

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

• 정식 스마일: C1=CC(=CC=C1C(=O)CO)Br
• IUPAC Name: 1-(4-bromophenyl)-2-hydroxyethanone
• InChIKey: FGROGLJVXNYNQC-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
• 이성체 SMILES: C1=CC(=CC=C1C(=O)CO)Br
• PubChem CID: 520633
• 분자량: 215.05

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: Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Alpha-hydroxy ketones Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Hydrocarbon derivative - Organic oxide - Alcohol - Organohalogen compound - Organobromide - Primary alcohol - 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: Light sensitive
• 녹는점(°C): 140-143
• 분자량: 215.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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