α-Bromo-4-fluorophenylacetic acid - ≥95% , CAS No.29270-33-5

CAS: 29270-33-5 Cat. No.: B469036 Formula: C₈H₆BrFO₂ Peso molecolare: 233.03 Numero EC: 627-468-4

GRADE & PURITY ≥95%

Synonyms

alpha-Bromo-4-fluorophenylacetic acid | alpha -Bromo-4-fluorophenylacetic acid | alpha-Bromo-4-fluorophenylacetic acid, 97% | A-bromo-4-fluoro- | 2-bromo-2-(4-fluorophenyl)aceticacid | alpha-Bromo-(4-fluorophenyl)acetic acid | AKOS026732159 | Benzeneaceti

Storage

Room temperature

Specifications

Sinonimi

alpha-Bromo-4-fluorophenylacetic acid | alpha -Bromo-4-fluorophenylacetic acid | alpha-Bromo-4-fluorophenylacetic acid, 97% | A-bromo-4-fluoro- | 2-bromo-2-(4-fluorophenyl)aceticacid | alpha-Bromo-(4-fluorophenyl)acetic acid | AKOS026732159 | Benzeneaceti

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488199252

Sorrisi canonici

C1=CC(=CC=C1C(C(=O)O)Br)F

IUPAC Name

2-bromo-2-(4-fluorophenyl)acetic acid

InChIKey

ATILMAUMZRFROS-UHFFFAOYSA-N

INCHI

1S/C8H6BrFO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)

Isomeri SMILES

C1=CC(=CC=C1C(C(=O)O)Br)F

Numero UN

3261

Peso molecolare

233.03

Reaxy-Rn

2096097

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096097&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl bromide - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Punto di fusione (°C): 96-100℃
• Peso molecolare: 233.030 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.954 Da
• Monoisotopic Mass: 231.954 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 29270-33-5, the molecular formula is C8H6BrFO2, and the molecular weight is 233.03 g/mol. InChIKey ATILMAUMZRFROS-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.