Ethyl 2-bromo-6-fluorobenzoate - ≥98% , CAS No.1214362-62-5

CAS: 1214362-62-5 Cat. No.: E190138 Formula: C₉H₈BrFO₂ Peso molecolare: 247.06

GRADE & PURITY ≥98%

Synonyms

FT-0726305 | MFCD10000924 | AKOS016007940 | SCHEMBL14352262 | 1214362-62-5 | DTXSID00673253 | SY043380 | DS-4260 | OEFDOVREWMJGGR-UHFFFAOYSA-N | Ethyl 2-bromo-6-fluorobenzoate | Benzoic acid, 2-bromo-6-fluoro-, ethyl ester | Ethyl2-bromo-6-fluorobenzoate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0726305 | MFCD10000924 | AKOS016007940 | SCHEMBL14352262 | 1214362-62-5 | DTXSID00673253 | SY043380 | DS-4260 | OEFDOVREWMJGGR-UHFFFAOYSA-N | Ethyl 2-bromo-6-fluorobenzoate | Benzoic acid, 2-bromo-6-fluoro-, ethyl ester | Ethyl2-bromo-6-fluorobenzoate

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C1=C(C=CC=C1Br)F

IUPAC Name

ethyl 2-bromo-6-fluorobenzoate

InChIKey

OEFDOVREWMJGGR-UHFFFAOYSA-N

INCHI

1S/C9H8BrFO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=C(C=CC=C1Br)F

Peso molecolare

247.06

Reaxy-Rn

23235634

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23235634&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: 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Vinylogous halides Carboxylic acid esters Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organofluoride - Organooxygen compound - Organic oxide - 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: 247.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.969 Da
• Monoisotopic Mass: 245.969 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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 1214362-62-5, the molecular formula is C9H8BrFO2, and the molecular weight is 247.06 g/mol. InChIKey OEFDOVREWMJGGR-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.