3,5-Difluorophenylacetic acid - ≥99% , CAS No.105184-38-1

CAS: 105184-38-1 Cat. No.: D120932 Summenformel: C₈H₆F₂O₂ Molekulargewicht: 172.13 Beilstein Registry Number: 3605064 EG-Nummer: 626-119-3

GRADE & PURITY ≥99%

Synonyms

AM62259 | STK801470 | SY004255 | J-511331 | 3,5 difluorophenylacetic acid | AKOS005063831 | InChI=1/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12 | 3,5-Difluorophenylaceticacid | AB01029 | D3462 | Benzeneacetic acid, 3,5-difluoro- | DTXSID40

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AM62259 | STK801470 | SY004255 | J-511331 | 3,5 difluorophenylacetic acid | AKOS005063831 | InChI=1/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12 | 3,5-Difluorophenylaceticacid | AB01029 | D3462 | Benzeneacetic acid, 3,5-difluoro- | DTXSID40

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488188185

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188185

Kanonisches Lächeln

C1=C(C=C(C=C1F)F)CC(=O)O

IUPAC Name

2-(3,5-difluorophenyl)acetic acid

InChIKey

IGGNSAVLXJKCNH-UHFFFAOYSA-N

INCHI

1S/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)

Isomere SMILES

C1=C(C=C(C=C1F)F)CC(=O)O

WGK Deutschland

3

Molekulargewicht

172.13

Beilstein

3605064

Reaxy-Rn

3605064

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3605064&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 68-70°C
• Molekulargewicht: 172.130 g/mol
• XLogP3: 1.600
• 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: 162.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% 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 105184-38-1, the molecular formula is C8H6F2O2, and the molecular weight is 172.13 g/mol. InChIKey IGGNSAVLXJKCNH-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.