2-Amino-4-chloro-3-methylbenzoic acid

Basic Information

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CAS Number

98968-68-4

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C(C=CC(=C1N)C(=O)O)Cl

InChI

InChI=1S/C8H8ClNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

InChIKey

UJRYLIKAXUSWFS-UHFFFAOYSA-N

LogP

1.9288200000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

186

Synonyms & References

English

Benzoic acid, 2-amino-4-chloro-3-methyl-
YDA96868
2-amino-4-chloro-3-methylbenzoicacid
DTXSID801287534
AKOS001147510
AS-47876
CS-0132960
2-amino-4-chloro-3-methylbenzoic acid
Z104343432
98968-68-4
Oprea1_471886
MFCD01925304
EN300-53633
UJRYLIKAXUSWFS-UHFFFAOYSA-N
FT-0696786
SCHEMBL951353
AE-646/12709136
F16600
2-Amino-4-chloro-3-methylbenzoic Acid
2-?Amino-?4-?chloro-?3-?methylbenzoic acid
2-amino-4-chloro-3-methyl-benzoic acid

MDL Number

MFCD01925304

FAQ

What regulatory guidelines apply to 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4)?

2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4) falls under the GHS classification for chemicals, which categorizes it as a skin and eye irritant. It is also regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for its production and placement on the market. Additionally, the FDA and EPA have specific requirements for its safe handling, storage, and disposal due to its hazardous nature.

Are there alternatives to 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4) in synthesis?

There are alternative compounds that can serve as precursors in synthesis, such as 2-Amino-3-methylbenzoic acid or 4-chloro-3-methylbenzoic acid. These alternatives can be used as substitutes in certain reactions, offering similar functionalities but with different chemical properties and reactivity profiles.

What is the market or research trend for 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4)?

The market for 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4) is driven by its use in pharmaceuticals and agrochemicals. Recent research trends focus on its application in developing novel drugs and pesticidal agents. However, due to its hazardous nature, there is also an increasing trend towards safer alternatives and more sustainable synthesis methods.

How should waste containing 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4) be handled?

Waste containing 2-Amino-4-chloro-3-methylbenzoic acid (CAS: 98968-68-4) should be collected in appropriate containers and handled in accordance with local regulations. Incineration or professional waste disposal services are recommended to ensure safe disposal. Environmental precautions include proper containment to prevent leaks and spills, and adherence to all safety protocols to protect both human health and the environment.