Methyl 2-amino-4-chloro-5-fluorobenzoate

Basic Information

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CAS Number

104901-79-3

Molecular Formula

C8H7ClFNO2

Molecular Weight

203.6 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)C1=CC(=C(C=C1N)Cl)F

InChI

InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3

InChIKey

GLUDXCLLUWRJRA-UHFFFAOYSA-N

LogP

1.8478999999999999

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

203

Synonyms & References

English

Methyl 2-amino-4-chloro-5-fluorobenzoate
BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-,METHYL ESTER
AGN-PC-00NM3H
AK119601
CL9064
KB-255560
MolPort-022-381-717
QC-5494
Methyl 4-chloro-5-fluoroanthranilate
2-Amino-4-chloro-5-fluoro-benzoic acid methyl ester
1088AA
FCH1390838
NE64272
AX8245017
AB0087593
BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-,METHYL EST
methyl 2-amino-4-chloro-5-fluorobenzoate
MFCD15523631
SCHEMBL19554228
Methyl4-chloro-5-fluoroanthranilate
AKOS016010716
DTXSID80546895
AS-46193
DB-260703
CS-0031061
104901-79-3
A929714
SY069898
SB30376

MDL Number

MFCD15523631

FAQ

What are the physical and chemical properties of Methyl 2-amino-4-chloro-5-fluorobenzoate (CAS: 104901-79-3)?

Methyl 2-amino-4-chloro-5-fluorobenzoate has a crystalline form with a molecular weight of approximately 244.58 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is Methyl 2-amino-4-chloro-5-fluorobenzoate (CAS: 104901-79-3) typically synthesized?

Methyl 2-amino-4-chloro-5-fluorobenzoate is typically synthesized through a multistep process involving the bromination of 4-fluorophenol, followed by nucleophilic substitution to introduce the amino group. This method involves the use of sodium hydroxide as a catalyst and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use Methyl 2-amino-4-chloro-5-fluorobenzoate (CAS: 104901-79-3)?

Methyl 2-amino-4-chloro-5-fluorobenzoate is used in various industries, particularly in the pharmaceutical sector for the synthesis of complex organic compounds. It also finds applications in the polymer industry for modifying polymer properties, and in the semiconductor industry for use in advanced materials. Additionally, it is utilized in the development of certain sensors due to its specific reactivity.

What precautions should be taken when handling Methyl 2-amino-4-chloro-5-fluorobenzoate (CAS: 104901-79-3)?

When handling Methyl 2-amino-4-chloro-5-fluorobenzoate, it is crucial to use appropriate personal protective equipment (PPE), including gloves and goggles. This compound should be stored in a well-ventilated area, and all handling should be conducted in a fume hood. In case of spillage, immediately clean up using appropriate absorbent materials and follow proper disposal procedures as outlined in the Material Safety Data Sheet (MSDS/SDS).