2-Bromo-4-Fluorophenyl Acetate - ≥95% , CAS No.480439-44-9

CAS: 480439-44-9 Cat. No.: B300290 Formule: C₈H₆BrFO₂ Poids moléculaire: 233.03

GRADE & PURITY ≥95%

Synonyms

2-Bromo-4-fluorophenyl acetate|480439-44-9|(2-bromo-4-fluorophenyl) acetate|2-BROMO-4-FLUOROPHENYL ACETATE 97|SCHEMBL513372|DTXSID20400684|CJIWSSICZXCQSS-UHFFFAOYSA-N|AKOS015889161|FT-0734720|O-ACETYL-2-BROMO-4-FLUOROPHENOL, 97%

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Bromo-4-fluorophenyl acetate | 480439-44-9 | (2-bromo-4-fluorophenyl) acetate | 2-BROMO-4-FLUOROPHENYL ACETATE 97 | SCHEMBL513372 | DTXSID20400684 | CJIWSSICZXCQSS-UHFFFAOYSA-N | AKOS015889161 | FT-0734720 | O-ACETYL-2-BROMO-4-FLUOROPHENOL, 97%

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC(=O)OC1=C(C=C(C=C1)F)Br

IUPAC Name

(2-bromo-4-fluorophenyl) acetate

InChIKey

CJIWSSICZXCQSS-UHFFFAOYSA-N

INCHI

1S/C8H6BrFO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3

Isomères SMILES

CC(=O)OC1=C(C=C(C=C1)F)Br

Poids moléculaire

233.03

Reaxy-Rn

10655937

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10655937&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 233.030 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.954 Da
• Monoisotopic Mass: 231.954 Da
• Topological Polar Surface Area: 26.300 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