4'-Bromo-2-Chloroacetophenone - ≥98% , CAS No.4209-02-3

CAS: 4209-02-3 Cat. No.: B122004 분자식: C₈H₆BrClO 분자량: 233.493 EC 번호: 224-134-6

GRADE & PURITY ≥98%

Synonyms

BB 0241921 | 4 inverted exclamation mark -Bromo-2-chloroacetophenone | 8-Azabicyclo(3.2.1)octan-3-ol, endo- | Benzidine Yellow GE | SCHEMBL474016 | 734VJ39EEW | cornin iridoid | NSC94761 | NSC-94761 | p-Bromophenacyl chloride | MFCD00095178 | AGROCLAVIN |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

BB 0241921 | 4 inverted exclamation mark -Bromo-2-chloroacetophenone | 8-Azabicyclo(3.2.1)octan-3-ol, endo- | Benzidine Yellow GE | SCHEMBL474016 | 734VJ39EEW | cornin iridoid | NSC94761 | NSC-94761 | p-Bromophenacyl chloride | MFCD00095178 | AGROCLAVIN |

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504755221

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755221

정식 스마일

C1=CC(=CC=C1C(=O)CCl)Br

IUPAC Name

1-(4-bromophenyl)-2-chloroethanone

InChIKey

HCQNNQFCUAGJBD-UHFFFAOYSA-N

INCHI

1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2

이성체 SMILES

C1=CC(=CC=C1C(=O)CCl)Br

분자량

233.493

Reaxy-Rn

2045133

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045133&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 Bromobenzenes Aryl bromides Alpha-chloroketones Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-chloroketone - Alpha-haloketone - Organohalogen compound - Organic oxide - Alkyl halide - Organobromide - Organochloride - Alkyl chloride - 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

• 분자량: 233.490 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.929 Da
• Monoisotopic Mass: 231.929 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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 ≥98% purity (chemical assay). 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 4209-02-3, the molecular formula is C8H6BrClO, and the molecular weight is 233.493 g/mol. InChIKey HCQNNQFCUAGJBD-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.