α,α-Difluorophenylacetic acid - ≥97% , CAS No.360-03-2

CAS: 360-03-2 Cat. No.: D108012 分子式: C₈H₆F₂O₂ 分子量: 172.13 EC番号: 623-610-4

GRADE & PURITY ≥97%

Synonyms

PS-8681 | SY006827 | alpha,alpha-difluorobenzeneacetic acid | alpha , alpha -Difluorophenylacetic acid | AMY14759 | Maybridge1_002109 | alpha,alpha-Difluorophenylacetic acid, 97% | AB06356 | PhCF2CO2H | SCHEMBL354556 | 2,2-Difluoro-2-phenylacetic acid; Di

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

PS-8681 | SY006827 | alpha,alpha-difluorobenzeneacetic acid | alpha , alpha -Difluorophenylacetic acid | AMY14759 | Maybridge1_002109 | alpha,alpha-Difluorophenylacetic acid, 97% | AB06356 | PhCF2CO2H | SCHEMBL354556 | 2,2-Difluoro-2-phenylacetic acid; Di

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

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

IUPAC Name

2,2-difluoro-2-phenylacetic acid

InChIKey

PFKSLFZFBCIJOI-UHFFFAOYSA-N

INCHI

1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)

異性体SMILES

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

WGKドイツ

3

分子量

172.13

Reaxy-Rn

2209615

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209615&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• 融点（°C）: 65-75°C
• 分子量: 172.130 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.034 Da
• Monoisotopic Mass: 172.034 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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 ≥97% 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 360-03-2, the molecular formula is C8H6F2O2, and the molecular weight is 172.13 g/mol. InChIKey PFKSLFZFBCIJOI-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.