4-(Trifluoromethoxy)cinnamic Acid - ≥97% , CAS No.783-13-1

CAS: 783-13-1 Cat. No.: D304643 Formula: C₁₀H₇F₃O₃ Peso molecolare: 232.16 Numero EC: 640-834-8

QUALITÀ & PUREZZA ≥97%

Synonyms

E-3-(4-(Trifluoromethoxy)phenyl)acrylic acid | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid | trans-4-(trifluoromethoxy)cinnamic acid | HMS1717M21 | EN300-10805 | MFCD00066338 | JS-038C | (2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid | 3-(4-(Trifluor

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifiche

Sinonimi

E-3-(4-(Trifluoromethoxy)phenyl)acrylic acid | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid | trans-4-(trifluoromethoxy)cinnamic acid | HMS1717M21 | EN300-10805 | MFCD00066338 | JS-038C | (2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid | 3-(4-(Trifluor

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F

IUPAC Name

(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid

InChIKey

RNYVTJANWYBGPW-ZZXKWVIFSA-N

INCHI

1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+

Isomeri SMILES

C1=CC(=CC=C1/C=C/C(=O)O)OC(F)(F)F

Peso molecolare

232.16

Reaxy-Rn

2647559

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2647559&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Phenoxy compounds Phenol ethers Trihalomethanes Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Phenoxy compound - Styrene - Phenol ether - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 185-186°
• Peso molecolare: 232.160 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 232.035 Da
• Monoisotopic Mass: 232.035 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 265.000
• 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