(3-Chlorophenyl)acetic acid

Basic Information

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CAS Number

1878-65-5

Molecular Formula

C8H7ClO2

Molecular Weight

170.59 g/mol

EINECS

217-520-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White

Melting Point

76-79 °C

Boiling Point

241.44°C (rough estimate)

Density

1.2315 (rough estimate)

Flash Point

131.7℃

Solubility

methanol: 0.1 g/mL, clear, colorless

Refractive Index

1.5660 (estimate)

SMILES

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

InChI

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

InChIKey

WFPMUFXQDKMVCO-UHFFFAOYSA-N

LogP

1.9671

pKa

4.14(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

3-Chlorophenylaceticacid
3-chlorophenyl-acetic acid
NSC-87556
1878-65-5
BENZENEACETIC ACID, M-CHLORO-
Acetic acid, (m-chlorophenyl)-
3-Chlorobenzeneacetic acid
Z285184608
CHEMBL335792
3-chloro-phenylacetic acid
AC-509/25001994
NSC 87556
UNII-F3JK7EW3SX
NSC87556
InChI=1/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11
AKOS000155364
3-chlorophenyl acetic acid
3-CHLOROPHENYLACETIC ACID
2-(3-chlorophenyl) acetic acid
m-Chlorophenylacetic acid
PS-5572
FT-0615512
EN300-64105
(3-chlorophenyl)-acetic acid
DTXSID5075151
2-(3-chlorophenyl)acetic acid
SY004837
(3-Chloro-phenyl)-acetic acid
Q63395571
AC-3240
F3JK7EW3SX

MDL Number

MFCD00004332

EC Number

217-520-0

Customs Code

29163900

FAQ

What is (3-Chlorophenyl)acetic acid (CAS: 1878-65-5)?

(3-Chlorophenyl)acetic acid, with the CAS number 1878-65-5, is an organic compound containing a chlorophenyl group and a carboxylic acid functional group. It appears as a white crystalline solid and is soluble in organic solvents. The compound is known for its stability under normal conditions and is commonly used as an intermediate in chemical synthesis.

What are the main uses of (3-Chlorophenyl)acetic acid (CAS: 1878-65-5)?

(3-Chlorophenyl)acetic acid (CAS: 1878-65-5) is primarily utilized in the pharmaceutical industry for the development of drugs and agrochemicals. It serves as a key intermediate in synthesizing herbicides, pesticides, and other organic compounds. Additionally, it is employed in research applications for its utility in organic reactions and functional group modifications.

Is (3-Chlorophenyl)acetic acid (CAS: 1878-65-5) safe?

The safety of (3-Chlorophenyl)acetic acid (CAS: 1878-65-5) depends on proper handling. It is classified as a hazardous material with potential irritant effects, requiring adherence to safety protocols. Always consult safety data sheets (SDS) and use protective measures like gloves and ventilation to minimize occupational exposure risks.

How should (3-Chlorophenyl)acetic acid (CAS: 1878-65-5) be stored?

Store (3-Chlorophenyl)acetic acid (CAS: 1878-65-5) in a sealed, airtight container in a cool, dry place at 25°C or below. Protect from moisture, light, and incompatible substances. Ensure storage conditions maintain stability, and keep away from heat sources to prevent degradation or reactions.