(2,3,6-Trichlorophenyl)acetic acid

Basic Information

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CAS Number

85-34-7

Molecular Formula

C8H5Cl3O2

Molecular Weight

239.48 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

161 ºC

Boiling Point

341.55°C (rough estimate)

Density

1.568

Refractive Index

1.4521 (estimate)

SMILES

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c1cc(c(c(c1Cl)CC(=O)O)Cl)Cl

InChI

InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

QZXCCPZJCKEPSA-UHFFFAOYSA-N

LogP

3.2739000000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

198

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 orally in rats: 3000 mg/kg (Bailey, White)

Synonyms & References

English

Benzeneacetic acid,2,3,6-trichloro-
Chlorfenac
2-(2,3,6-trichlorophenyl)acetic acid
Fenac
Fenac Solution
Fenatrol
(2,3,6-trichlorophenyl)acetic acid
2,3,6-trichlorobenzenacetic acid
2,3,6-trichlorobenzeneacetic acid
Benzeneacetic acid,2,3,6-trichloro
Fenae
Kanepar
TCPA
Tri-fen
Trifene
2,3,6-Trichlorophenylacetic acid
NSC 41931

MDL Number

MFCD00014367

Customs Code

2916399017

FAQ

What is (2,3,6-Trichlorophenyl)acetic acid (CAS: 85-34-7)?

(2,3,6-Trichlorophenyl)acetic acid is a derivative of acetic acid containing a trichlorophenyl group. It is a white crystalline solid with the molecular formula C10H7Cl3O2. This compound is known for its strong acidity and is used in various applications including pharmaceuticals, pesticides, and research.

What are the main uses of (2,3,6-Trichlorophenyl)acetic acid (CAS: 85-34-7)?

(2,3,6-Trichlorophenyl)acetic acid is primarily used in the production of herbicides, particularly in the formulation of 2,4-D (2,4-dichlorophenoxyacetic acid). It is also utilized in research for its biological activity and as an intermediate in the synthesis of other chemicals.

Is (2,3,6-Trichlorophenyl)acetic acid (CAS: 85-34-7) safe?

(2,3,6-Trichlorophenyl)acetic acid can be harmful if not handled properly. It is corrosive and may cause skin and eye irritation. It is important to follow safety guidelines, including wearing protective equipment such as gloves and goggles, and ensuring proper ventilation during use. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should (2,3,6-Trichlorophenyl)acetic acid (CAS: 85-34-7) be stored?

(2,3,6-Trichlorophenyl)acetic acid should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. The container should be tightly sealed to maintain its integrity. It should be kept in a secure location, out of reach of unauthorized personnel, and away from incompatible materials such as strong bases and reducing agents.