Methyl 1-(4-bromophenyl)cyclopropanecarboxylate - ≥98% , CAS No.638220-35-6

CAS: 638220-35-6 Cat. No.: M185733 Peso molecular: 255.1

GRADE & PURITY ≥98%

Synonyms

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, methyl ester | HNTJWMPUBJHPLD-UHFFFAOYSA-N | MFCD12913964 | FT-0770295 | SCHEMBL349353 | AKOS015835648 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid methyl ester | 1-(4-bromophenyl)-cyclopropanecarboxyli

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, methyl ester | HNTJWMPUBJHPLD-UHFFFAOYSA-N | MFCD12913964 | FT-0770295 | SCHEMBL349353 | AKOS015835648 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid methyl ester | 1-(4-bromophenyl)-cyclopropanecarboxyli

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201355
• Sonrisas canónicas: COC(=O)C1(CC1)C2=CC=C(C=C2)Br
• IUPAC Name: methyl 1-(4-bromophenyl)cyclopropane-1-carboxylate
• InChIKey: HNTJWMPUBJHPLD-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrO2/c1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
• Isómeros SMILES: COC(=O)C1(CC1)C2=CC=C(C=C2)Br
• Peso molecular: 255.1
• Reaxy-Rn: 14248435
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14248435&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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

Propiedades químicas y físicas

• Peso molecular: 255.110 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.994 Da
• Monoisotopic Mass: 253.994 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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