Methyl 2-amino-4,5-dichlorobenzoate

Basic Information

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CAS Number

844647-17-2

Molecular Formula

C8H7Cl2NO2

Molecular Weight

220.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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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COC(=O)c1cc(Cl)c(Cl)cc1N

InChI

InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3

InChIKey

GPQSHTPSMYICPA-UHFFFAOYSA-N

LogP

2.3621999999999996

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

methyl 2-amino-4,5-dichlorobenzoate
2-amino-4,5-dichloro-benzoic acid methyl ester
BENZOIC ACID,2-AMINO-4,5-DICHLORO-,METHYL ESTER

MDL Number

MFCD15523635

FAQ

What are the physical and chemical properties of Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2)?

Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2) is a crystalline solid with a molecular weight of approximately 270.03 g/mol. It has a solubility of about 0.1g/100mL in water. It is reactive towards bases, showing good reactivity in amine substitution reactions. This compound is stable under normal storage conditions, but care should be taken to avoid strong reducing or oxidizing agents.

How is Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2) typically synthesized?

Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2) can be synthesized via a multi-step process involving the formation of a dichlorobenzoic acid derivative and subsequent amidation with methylamine. Commonly, this involves the reaction of dichlorobenzoic acid with triethylamine followed by addition of methylamine to form the final product. This process typically yields 85-90% of the target compound with high selectivity.

What industries use Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2)?

Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2) finds applications in the pharmaceutical industry for the synthesis of certain drugs due to its functional groups. It is also used in the polymer industry for modifying polymer properties. Additionally, it has potential in the development of sensor technologies and in the semiconductor industry for specific applications.

What precautions should be taken when handling Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2)?

When handling Methyl 2-amino-4,5-dichlorobenzoate (CAS: 844647-17-2), appropriate personal protective equipment (PPE) such as gloves and goggles should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.