4-Bromophenyl acetate - ≥95% , CAS No.1927-95-3

CAS: 1927-95-3 Cat. No.: B587900 Formula: C₈H₇BrO₂ Peso molecolare: 215.04 Numero EC: 217-668-6

QUALITÀ & PUREZZA ≥95%

Synonyms

AS-19187 | Methylsulfonylbenzoylmethane | MFCD00560954 | p-Bromophenyl acetate | Phenol, 4-bromo-, 1-acetate | 008JZJ6NVX | 4-acetoxybromobenzene | 4-Bromophenyl acetate | EC 217-668-6 | 5-Methylchrysene 10 microg/mL in Cyclohexane | AKOS002950982 | 4-BRO

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifiche

Sinonimi

AS-19187 | Methylsulfonylbenzoylmethane | MFCD00560954 | p-Bromophenyl acetate | Phenol, 4-bromo-, 1-acetate | 008JZJ6NVX | 4-acetoxybromobenzene | 4-Bromophenyl acetate | EC 217-668-6 | 5-Methylchrysene 10 microg/mL in Cyclohexane | AKOS002950982 | 4-BRO

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528759983

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759983

Sorrisi canonici

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

IUPAC Name

(4-bromophenyl) acetate

InChIKey

XEXHCQJRVMVJMY-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3

Isomeri SMILES

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

Peso molecolare

215.04

Reaxy-Rn

1864958

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864958&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 Bromobenzenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 215.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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