2-Chlorophenylacetic Acid

Basic Information

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CAS Number

2444-36-2

Molecular Formula

C8H7ClO2

Molecular Weight

170.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

92-95 °C

Boiling Point

294.1℃ at 760 mmHg

Flash Point

145℃/5mm

Refractive Index

1.5660 (estimate)

SMILES

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

InChI

InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

IUJAAIZKRJJZGQ-UHFFFAOYSA-N

LogP

1.9671

pKa

4.07(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

147

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

(2-chlorophenyl)-acetic acid
Benzeneacetic acid, 2-chloro-
2-chlorobenzeneacetic acid
BS-3930
Acetic acid, (o-chlorophenyl)-
CS-W020113
BDBM16424
o-chlorophenyl acetic acid
o-Chlorophenylacetic acid
o-chlorophenyl-acetic acid
MFCD00004317
2-CHLOROPHENYLACETIC ACID
F2191-0042
(o-Chlorophenyl)acetic acid
FT-0611998
AI3-20877
2-(2-chlorophenyl)acetic acid
2-Chlorophenylaceticacid
(2-Chlorophenyl)acetic acid
(2-chloro-phenyl)-acetic acid
2444-36-2
2-chloro-benzeneacetic acid
DTXSID50179194
Z56911957
chlorobenzene-acetic acid
D87878
AM20060570
7BF49L8BR5
A5034
Q63408948
SCHEMBL194831

MDL Number

MFCD00004317

Customs Code

2916399090

FAQ

What is 2-Chlorophenylacetic Acid (CAS: 2444-36-2)?

2-Chlorophenylacetic Acid (CAS: 2444-36-2) is an organic compound with the chemical formula C8H9ClO2. It is a white crystalline solid, commonly used as an intermediate in chemical synthesis. The compound exhibits moderate solubility in polar solvents and is characterized by its aromatic ring structure with a chlorine substituent and carboxylic acid group.

What are the main uses of 2-Chlorophenylacetic Acid (CAS: 2444-36-2)?

2-Chlorophenylacetic Acid (CAS: 2444-36-2) is primarily used in pharmaceutical research as a building block for drug development. It also serves in the production of agrochemicals, such as herbicides and fungicides, and industrial chemicals. Additionally, it is employed in organic synthesis for creating derivatives with applications in research and specialty chemical manufacturing.

Is 2-Chlorophenylacetic Acid (CAS: 2444-36-2) safe?

2-Chlorophenylacetic Acid (CAS: 2444-36-2) requires careful handling due to potential irritant properties. It may cause skin, eye, or respiratory irritation, and its toxicity is classified as low to moderate. Safety measures include using gloves, safety goggles, and ensuring proper ventilation. Always follow OSHA and EPA guidelines when working with this hazardous substance.

How should 2-Chlorophenylacetic Acid (CAS: 2444-36-2) be stored?

2-Chlorophenylacetic Acid (CAS: 2444-36-2) should be stored in a cool, dry place at 2-8°C to maintain stability. It is sensitive to moisture and light, so storage in a sealed container away from direct sunlight is essential. Keep the compound in a well-ventilated area, and avoid contact with incompatible materials to ensure safety and longevity.