CAS 3752-25-8

2-Chlorocinnamic acid

Description:

2-Chlorocinnamic acid is an organic compound characterized by its aromatic structure and the presence of both a carboxylic acid and a chlorinated substituent. It features a trans configuration, which is significant for its physical properties and reactivity. The compound typically appears as a white to light yellow crystalline solid and is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. Its molecular formula is C9H7ClO2, and it has a molecular weight that reflects the presence of the chlorine atom and the carboxylic acid group. 2-Chlorocinnamic acid is known for its applications in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Additionally, it can undergo various chemical reactions, including esterification and reduction, making it a versatile intermediate in synthetic chemistry. The presence of the chlorine atom can also influence its reactivity and interaction with biological systems, which is of interest in medicinal chemistry.

Formula: C₉H₇ClO₂

InChI: InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

InChI key: InChIKey=KJRRTHHNKJBVBO-UHFFFAOYSA-N

SMILES: C(=CC(O)=O)C1=C(Cl)C=CC=C1

Synonyms:

• (2E)-3-(2-chlorophenyl)prop-2-enoate
• (2E)-3-(2-chlorophenyl)prop-2-enoic acid
• 2-Chlorocinnamic acid,predominantly trans
• 2-Propenoic acid, 3-(2-chlorophenyl)-
• 3-(2-Chlorophenyl)-2-propenoic acid
• 3-(2-Chlorophenyl)acrylic acid
• 3-(2-Chlorophenyl)propenoic acid
• Chlorocinnamicacid
• Cinnamic acid, o-chloro-
• NSC 4792
• o-Chlorocinnamic acid

2-Chlorocinnamic Acid

CAS: 3752-25-8

Formula: C₉H₇ClO₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 182.60

Ref: 3B-C0974

(E)-3-(2-Chlorophenyl)acrylic acid

CAS: 3752-25-8

Formula: C₉H₇ClO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 182.6037

Ref: IN-DA003398

2-Chlorocinnamic acid

CAS: 3752-25-8

Formula: C₉H₇ClO₂

Molecular weight: 182.61

Ref: 7W-GK6581

2-Chlorocinnamic acid

CAS: 3752-25-8

2-Chlorocinnamic acid

Purity: 99%

Molecular weight: 182.60g/mol

Ref: 54-OR0066

2-Chlorocinnamic acid

CAS: 3752-25-8

2-Chlorocinnamic acid is a regiospecific inhibitor of malonic and 2-methoxycinnamic acid decarboxylases. 2-Chlorocinnamic acid binds to the metal ion in the active site of these enzymes, inhibiting their activity. The structural analysis of this compound has shown that it forms a coordination complex with a water molecule. The functional theory also predicts that 2-chlorocinnamic acid will have an inhibitory effect on trans-3-nitrocinnamic acid decarboxylase, which is another enzyme involved in the synthesis of cinnamic acid derivatives.

Formula: C₉H₇ClO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 182.6 g/mol

Ref: 3D-FC71201

2-Chlorocinnamic acid

CAS: 3752-25-8

Formula: C₉H₇ClO₂

Purity: 98%

Color and Shape: Solid, White to light yellow crystal powder

Molecular weight: 182.6

Ref: 10-F001142