Methyl 3-amino-2-fluorobenzoate

Basic Information

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CAS Number

1195768-18-3

Molecular Formula

C8H8FNO2

Molecular Weight

169.15 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

282.6±25.0 ºC (760 Torr),

Flash Point

124.7±23.2 ºC,

Refractive Index

1.5570 to 1.5610

SMILES

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COC(=O)c1cccc(c1F)N

InChI

InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3

InChIKey

UOYDNSRSUSNCKS-UHFFFAOYSA-N

LogP

1.1945

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

174

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Methyl 3-amino-2-fluorobenzoate
3-amino-2-fluoroBenzoic acid methyl ester
C8H8FNO2
Methyl 2-fluoro-3-aminobenzoate
3-amino-2-fluoro-benzoic acid methyl ester
Benzoic acid, 3-amino-2-fluoro-, methyl ester
PubChem18729
UOYDNSRSUSNCKS-UHFFFAOYSA-N
methyl 3-amino-2-fluoro-benzoate
BCP12561
CM12401
LS10072
AS07006
Benzoicacid,3-amino-2-fluoro-,methylester
ST24047782
M28

MDL Number

MFCD12923265

Customs Code

2922499990

FAQ

What is Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3)?

Methyl 3-amino-2-fluorobenzoate is a chemical compound with the formula C8H9NO2F. It is a derivative of benzoic acid, featuring a methyl group, an amino group, and a fluorine atom at the 2-position of the benzene ring. This compound is known for its aromatic structure and potential applications in organic chemistry. Its physical properties include solubility in polar solvents and a characteristic crystalline form. CAS: 1195768-18-3.

What are the main uses of Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3)?

Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) is primarily used in pharmaceutical research as a building block for drug development. It also serves as an intermediate in the synthesis of various organic compounds, including potential agrochemicals and dyes. Its unique functional groups make it valuable in chemical research for modifying molecular structures. Applications may also extend to industrial chemistry and specialty chemical products. CAS: 1195768-18-3.

Is Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) safe?

Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) is generally considered safe when handled properly. However, it should be treated with caution, as it may cause skin or eye irritation. Protective measures such as gloves, goggles, and a well-ventilated environment are recommended. Safety standards require adherence to chemical handling protocols to minimize exposure risks. Always consult Safety Data Sheets (SDS) for specific guidelines. CAS: 1195768-18-3.

How should Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) be stored?

Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) should be stored in a cool, dry place away from light. It is best kept in a sealed container, preferably made of glass or high-density polyethylene, to maintain stability. Storage conditions should avoid temperatures above 25°C and humidity levels exceeding 60% to prevent degradation. Proper labeling and safe storage practices are essential for chemical safety. CAS: 1195768-18-3.