3,4-difluorobenzoato di etile - ≥98% , CAS No.144267-96-9

CAS: 144267-96-9 Cat. No.: E181512 Formula: C₉H₈F₂O₂ Peso molecolare: 186.2 Numero EC: 672-013-5

GRADE & PURITY ≥98%

Synonyms

AKOS004911135 | PS-8473 | FT-0626006 | SCHEMBL1147208 | Z292646542 | ethyl-3,4-difluorobenzoate | A24218 | NKIWNSXGZXESSM-UHFFFAOYSA-N | EN300-132161 | MFCD00272138 | SY021829 | AMY6553 | 3,4-Difluoro-benzoic acid ethyl ester | Benzoic acid, 3,4-difluoro-

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

AKOS004911135 | PS-8473 | FT-0626006 | SCHEMBL1147208 | Z292646542 | ethyl-3,4-difluorobenzoate | A24218 | NKIWNSXGZXESSM-UHFFFAOYSA-N | EN300-132161 | MFCD00272138 | SY021829 | AMY6553 | 3,4-Difluoro-benzoic acid ethyl ester | Benzoic acid, 3,4-difluoro-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488192871
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192871
• Sorrisi canonici: CCOC(=O)C1=CC(=C(C=C1)F)F
• IUPAC Name: ethyl 3,4-difluorobenzoate
• InChIKey: NKIWNSXGZXESSM-UHFFFAOYSA-N
• INCHI: 1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
• Isomeri SMILES: CCOC(=O)C1=CC(=C(C=C1)F)F
• Numero UN: 1993
• Gruppo di imballaggio: III
• Peso molecolare: 186.2
• Reaxy-Rn: 10064515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10064515&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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

Proprietà chimiche e fisiche

• Peso molecolare: 186.150 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.049 Da
• Monoisotopic Mass: 186.049 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

Domande frequenti

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.

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 144267-96-9, the molecular formula is C9H8F2O2, and the molecular weight is 186.2 g/mol. InChIKey NKIWNSXGZXESSM-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.