4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid | CAS No. 123654-26-2

4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid

Basic Information

CAS Number

123654-26-2

Molecular Formula

C9H8ClNO3

Molecular Weight

213.62 g/mol

AD

Basic Physical Properties

Boiling Point

406.5°C at 760 mmHg

C1COC2=C1C(=C(C=C2C(=O)O)Cl)N

InChI

InChI=1S/C9H8ClNO3/c10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8/h3H,1-2,11H2,(H,12,13)

InChIKey

KRMUVKSAOVLXLF-UHFFFAOYSA-N

LogP

1.5553

Topological Polar Surface Area

72.55 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
  • 4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic Acid
  • 4-Amino-5-chloro-2.3-dihydro-7-benzourancarbonylic acid
  • 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid
  • 4-Amino-5-chlorocoumaran-7-carboxylic Acid
  • Prucalopride Impurity A
  • 4-AMino-5-chloro-2,3-dihydro-7-benzofurane karboxylic acid
  • 4-Amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic acid
  • 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid

MDL Number

MFCD12923204

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid (CAS: 123654-26-2)?

4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid is a white crystalline solid with a molecular weight of approximately 263.03 g/mol. It has a solubility of about 1.2 g/L in water and is more soluble in organic solvents like methanol and ethanol. The compound is moderately reactive, with potential for amine and carboxylic acid functionalities. It is stable under normal conditions but should be stored in a dry, shaded area away from moisture and heat.

How is 4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid (CAS: 123654-26-2) typically synthesized?

4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid is typically synthesized via a multi-step process. Common methods involve the initial synthesis of 5-chloro-2,3-dihydro-1-benzofuran followed by the introduction of the amine group. This can be achieved through aminomethylation or direct amination. The overall yield is around 75-85%, and the process requires careful control of reaction conditions to achieve high selectivity and purity.

What industries use 4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid (CAS: 123654-26-2)?

4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid is used in several industries. It is primarily applied in the pharmaceutical industry for the synthesis of biologically active compounds. It also finds use in the polymer industry as a crosslinking agent and in the development of sensors and semiconductors where its chemical properties are utilized.

What precautions should be taken when handling 4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid (CAS: 123654-26-2)?

When handling 4-Amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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