2-Bromophenylacetic acid - ≥98% , CAS No.18698-97-0

CAS: 18698-97-0 Cat. No.: B113791 分子式: C₈H₇BrO₂ 分子量: 215.04 Beilstein Registry Number: 2250655 EC番号: 242-509-2

GRADE & PURITY ≥98%

Synonyms

2-Bromophenylacetic acid, 99% | 2-Bromophenylaceticacid | 2-Bromo-pyridineamine | 2-(2-bromophenyl)acetic acid | 2-(2-bromophenyl)-acetic acid | ortho-bromophenylacetic acid | 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (6R)- | Benzeneacetic acid, 2-bromo- | 2

Storage

Protected from light,Room temperature

Shipped In

Normal

概要

2-Bromophenylacetic acid has been used:
as starting reagent in the synthesis of 8-methoxy-2-tetralone
in the preparation of di-and tri-substituted 2-oxopiperazines on solid support

Specifications

同義語

2-Bromophenylacetic acid, 99% | 2-Bromophenylaceticacid | 2-Bromo-pyridineamine | 2-(2-bromophenyl)acetic acid | 2-(2-bromophenyl)-acetic acid | ortho-bromophenylacetic acid | 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (6R)- | Benzeneacetic acid, 2-bromo- | 2

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488186437

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186437

カノニカル・スマイル

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

IUPAC Name

2-(2-bromophenyl)acetic acid

InChIKey

DWXSYDKEWORWBT-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

異性体SMILES

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

WGKドイツ

3

分子量

215.04

Beilstein

2250655

Reaxy-Rn

2250655

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2250655&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

化学的性質と物理的性質

• 溶解度: Very faint turbidity in methanol.
• 感度: Light sensitive.
• 融点（°C）: 104-106°C
• 分子量: 215.040 g/mol
• XLogP3: 2.100
• 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: 147.000
• 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

よくある質問

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 18698-97-0, the molecular formula is C8H7BrO2, and the molecular weight is 215.04 g/mol. InChIKey DWXSYDKEWORWBT-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.