trans-2,6-Difluorocinnamic Acid - ≥95%(GC) , CAS No.102082-89-3

CAS: 102082-89-3 Cat. No.: T162738 Fórmula: C₉H₆F₂O₂ Peso molecular: 184.14 Número EC: 621-995-3 PubChem CID: 5372267

GRADE & PURITY ≥95%(GC)

Synonyms

3-(2,6-difluorophenyl)prop-2-enoic acid | AKOS000141830 | J-501872 | MFCD00010319 | MFCD00048089 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid # | BRN 2803196 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid | (E)-3-(2,6-difluorophenyl)prop-2-enoic acid |

Storage

Room temperature

Shipped In

Normal

Descripción general

trans-2,6-Difluorocinnamic acid may be used in chemical synthesis.

Specifications

Sinónimos

3-(2,6-difluorophenyl)prop-2-enoic acid | AKOS000141830 | J-501872 | MFCD00010319 | MFCD00048089 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid # | BRN 2803196 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid | (E)-3-(2,6-difluorophenyl)prop-2-enoic acid |

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488195492

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195492

Sonrisas canónicas

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

IUPAC Name

(E)-3-(2,6-difluorophenyl)prop-2-enoic acid

InChIKey

JMUOYANNVIFGFN-SNAWJCMRSA-N

INCHI

1S/C9H6F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+

Isómeros SMILES

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

WGK Alemania

3

PubChem CID

5372267

Peso molecular

184.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 122 °C
• Peso molecular: 184.140 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.034 Da
• Monoisotopic Mass: 184.034 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). 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 102082-89-3, the molecular formula is C9H6F2O2, and the molecular weight is 184.14 g/mol. InChIKey JMUOYANNVIFGFN-SNAWJCMRSA-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.