Methyl 2,4,5-triamino-3-fluorobenzoate

Basic Information

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CAS Number

918321-27-4

Molecular Formula

C8H10FN3O2

Molecular Weight

199.18 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

SMILES

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

InChI

InChI=1S/C8H10FN3O2/c1-14-8(13)3-2-4(10)7(12)5(9)6(3)11/h2H,10-12H2,1H3

InChIKey

RADQVYGLIBGGAP-UHFFFAOYSA-N

LogP

0.35890000000000005

Topological Polar Surface Area

104.36 Å²

Hydrogen Bond Donor/Acceptor

6 / 5

Complexity

227

Synonyms & References

English

MFCD20725583
A917028
Methyl 2,4,5-triamino-3-fluorobenzoate
RADQVYGLIBGGAP-UHFFFAOYSA-N
Methyl2,4,5-triamino-3-fluorobenzoate
DTXSID30731658
BS-51977
SCHEMBL2523145
Benzoic acid,2,4,5-triamino-3-fluoro-,methyl ester
Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester
SY284749
918321-27-4
CS-0197509
methyl 2,4,5-triamino-3-fluorobenzoate

MDL Number

MFCD20725583

FAQ

What are the physical and chemical properties of Methyl 2,4,5-triamino-3-fluorobenzoate (CAS: 918321-27-4)?

Methyl 2,4,5-triamino-3-fluorobenzoate is a white crystalline solid with a molecular weight of approximately 229.21 g/mol. It has a solubility of about 6.5 g/L in water and is practically insoluble in most organic solvents. Chemically, it is highly reactive due to the amine groups and the fluorine substituent, making it prone to nucleophilic substitution and other reactions.

How is Methyl 2,4,5-triamino-3-fluorobenzoate (CAS: 918321-27-4) typically synthesized?

Methyl 2,4,5-triamino-3-fluorobenzoate is typically synthesized through a multi-step process involving the protection of the carboxylic acid group, followed by the introduction of the amine groups and fluorination. Commonly, this involves the use of protecting agents like tert-butyldimethylsilyl chloride and subsequent deprotection using fluoride sources under controlled conditions.

What industries use Methyl 2,4,5-triamino-3-fluorobenzoate (CAS: 918321-27-4)?

Methyl 2,4,5-triamino-3-fluorobenzoate finds applications in the pharmaceutical industry, particularly in the development of novel drugs and intermediates. It is also used in the synthesis of certain polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling Methyl 2,4,5-triamino-3-fluorobenzoate (CAS: 918321-27-4)?

When handling Methyl 2,4,5-triamino-3-fluorobenzoate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with caution using appropriate spill kits, and the Material Safety Data Sheet (MSDS) should always be referenced for detailed safety information.