Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate - ≥97% , CAS No.1215205-50-7

CAS: 1215205-50-7 Cat. No.: E180199 Summenformel: C₁₂H₁₃BrO₂ Molekulargewicht: 269.1

GRADE & PURITY ≥97%

Synonyms

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, ethyl ester | KCCISTCYYRKGFF-UHFFFAOYSA-N | ETHYL1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE | W17412 | 1215205-50-7 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester | DS-3591 | ethyl 1-(4-bromophe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, ethyl ester | KCCISTCYYRKGFF-UHFFFAOYSA-N | ETHYL1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE | W17412 | 1215205-50-7 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester | DS-3591 | ethyl 1-(4-bromophe

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C1(CC1)C2=CC=C(C=C2)Br
• IUPAC Name: ethyl 1-(4-bromophenyl)cyclopropane-1-carboxylate
• InChIKey: KCCISTCYYRKGFF-UHFFFAOYSA-N
• INCHI: 1S/C12H13BrO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
• Isomere SMILES: CCOC(=O)C1(CC1)C2=CC=C(C=C2)Br
• Molekulargewicht: 269.1
• Reaxy-Rn: 20925164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20925164&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Aryl bromide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 269.130 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.01 Da
• Monoisotopic Mass: 268.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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 1215205-50-7, the molecular formula is C12H13BrO2, and the molecular weight is 269.1 g/mol. InChIKey KCCISTCYYRKGFF-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.