Methyl trans-4-Bromocinnamate - ≥95% , CAS No.71205-17-9

CAS: 71205-17-9 Cat. No.: M589968 Formula: C₁₀H₉BrO₂ Peso molecolare: 241.09

GRADE & PURITY ≥95%

Synonyms

Methyl-4-bromocinnamate | A6309 | Ethanone,2-chloro-1-(3-chloro-4-methoxyphenyl)-(9CI) | METHYL (2E)-3-(4-BROMOPHENYL)ACRYLATE | AMY36681 | Methyl 4-bromocinnamate | SCHEMBL403042 | A923080 | 2-Propenoic acid, 3-(4-bromophenyl)-, methyl ester, (2E)- | Met

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

Methyl-4-bromocinnamate | A6309 | Ethanone,2-chloro-1-(3-chloro-4-methoxyphenyl)-(9CI) | METHYL (2E)-3-(4-BROMOPHENYL)ACRYLATE | AMY36681 | Methyl 4-bromocinnamate | SCHEMBL403042 | A923080 | 2-Propenoic acid, 3-(4-bromophenyl)-, methyl ester, (2E)- | Met

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: 508806603
• Sorrisi canonici: COC(=O)C=CC1=CC=C(C=C1)Br
• IUPAC Name: methyl (E)-3-(4-bromophenyl)prop-2-enoate
• InChIKey: MFKOGXVHZUSUAF-QPJJXVBHSA-N
• INCHI: 1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
• Isomeri SMILES: COC(=O)/C=C/C1=CC=C(C=C1)Br
• CAS alternativo: 3650-78-0
• Peso molecolare: 241.09
• Reaxy-Rn: 1282698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Fatty acid esters Bromobenzenes Aryl bromides Methyl esters Enoate esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Styrene - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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

• Punto di fusione (°C): 84-86
• Peso molecolare: 241.080 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.979 Da
• Monoisotopic Mass: 239.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1