2-Bromo-4'-hydroxyacetophenone - 10mM in DMSO , CAS No.2491-38-5

CAS: 2491-38-5 Cat. No.: B422857 분자식: C₈H₇BrO₂ 분자량: 215.05 EC 번호: 219-655-0

GRADE & PURITY 10mM in DMSO

Synonyms

B4115 | GS-3432 | s3696 | Acetophenone, 2-bromo-4'-hydroxy- | 2-bromo-4'-hydroxyacetophenone, AldrichCPR | MFCD00072424 | SCHEMBL79354 | AM875 | HY-W002314 | Tox21_301941 | Caswell No. 115 | Q27264894 | alpha-bromo-p-hydroxyacetophenone | AKOS015836074 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

B4115 | GS-3432 | s3696 | Acetophenone, 2-bromo-4'-hydroxy- | 2-bromo-4'-hydroxyacetophenone, AldrichCPR | MFCD00072424 | SCHEMBL79354 | AM875 | HY-W002314 | Tox21_301941 | Caswell No. 115 | Q27264894 | alpha-bromo-p-hydroxyacetophenone | AKOS015836074 |

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: C1=CC(=CC=C1C(=O)CBr)O
• IUPAC Name: 2-bromo-1-(4-hydroxyphenyl)ethanone
• InChIKey: LJYOFQHKEWTQRH-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
• 이성체 SMILES: C1=CC(=CC=C1C(=O)CBr)O
• RTECS: AM5982000
• 분자량: 215.05
• Reaxy-Rn: 1865388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865388&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: Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 131 °C
• 분자량: 215.040 g/mol
• XLogP3: 2.400
• 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

참고 문헌

1. Sisi He, Yiyi Liu, Chaoxian Chi, Dongdong Zhou, Chuan-Fan Ding, Xucong Lin, Jiabin Wang, Fangling Wu.  (2023)  Discrimination of 3-aminopyrrolidine derivatives with chiral and positional isomerism through mobility disparity based on non-covalent interactions.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109867]

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 2491-38-5, the molecular formula is C8H7BrO2, and the molecular weight is 215.05 g/mol. InChIKey LJYOFQHKEWTQRH-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.