2′-Bromoacetophenone - ≥98%(GC) , CAS No.2142-69-0

CAS: 2142-69-0 Cat. No.: B121858 분자식: C₈H₇BrO 분자량: 199.04 Beilstein Registry Number: 1931534 EC 번호: 218-398-1

등급 & 순도 ≥98%(GC)

Synonyms

2-Acetylbromobenzene|Ethanone, 1-(2-bromophenyl)-|2`-Bromoacetophenone|1-(2-Bromophenyl)ethanone|1-(2-bromo-phenyl)ethanone|1-(2-bromo-phenyl)-ethanone|s-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)-|2'bromoacetophenone|2'-Bromoacetophenone|Acrylic acid, butoxyethyl ester|1-(2-bromomphenyl)ethanone|Acetophenone, 2'-bromo-|2'-bromoacetophenon|o-Bromophenyl methyl ketone|ortho-bromoacetophenone|2-Methyl quinoxaline|o-Bromoacetophenone|1-Acetyl-2-bromobenzene|Acetophenone, o-bromo-

Storage

Room temperature

Shipped In

Normal

사양

동의어

2-Acetylbromobenzene | Ethanone, 1-(2-bromophenyl)- | 2`-Bromoacetophenone | 1-(2-Bromophenyl)ethanone | 1-(2-bromo-phenyl)ethanone | 1-(2-bromo-phenyl)-ethanone | s-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)- | 2'bromoacetophenone | 2'-Bromoacetophenone | Acrylic acid, butoxyethyl ester | 1-(2-bromomphenyl)ethanone | Acetopheno Show more

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754901

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754901

정식 스마일

CC(=O)C1=CC=CC=C1Br

IUPAC Name

1-(2-bromophenyl)ethanone

InChIKey

PIMNFNXBTGPCIL-UHFFFAOYSA-N

INCHI

1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

이성체 SMILES

CC(=O)C1=CC=CC=C1Br

WGK 독일

3

분자량

199.04

Beilstein

1931534

Reaxy-Rn

1931534

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931534&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 Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Organobromide - Organic oxide - Hydrocarbon derivative - 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

• 굴절률: 1.568
• 발화점(°F): 230 °F
• 발화점(°C): >110°(230°F)
• 끓는점(°C): 116-117°C/12mm
• 분자량: 199.040 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.968 Da
• Monoisotopic Mass: 197.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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