Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

Basic Information

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CAS Number

872624-52-7

Molecular Formula

C9H7F3INO2

Molecular Weight

345.06 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)c1cc(I)c(cc1N)C(F)(F)F

InChI

InChI=1S/C9H7F3INO2/c1-16-8(15)4-2-6(13)5(3-7(4)14)9(10,11)12/h2-3H,14H2,1H3

InChIKey

ILCBGAMVQYUDFL-UHFFFAOYSA-N

LogP

2.6788000000000007

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

272

Synonyms & References

English

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
Benzoic acid, 2-amino-5-iodo-4-(trifluoromethyl)-, methyl ester
methyl 2-amino-5-iodo-4-trifluoromethylbenzoate
2-amino-4-trifluoromethyl-5-iodo-benzoic acid methyl ester
2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester
CL8523
AK127976
C9H7F3INO2
ILCBGAMVQYUDFL-UHFFFAOYSA-N
AM83250
AX8249767
ST2419503
Z5235
Methyl 2-amino-4-trifluoromethyl-5-iodobenzoate
A842059
methyl 2-azanyl-5-iodanyl-4-(trifluoromethyl)benzoate
2-amino-4-trifl
methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
2-Amino-5-iodo-4-trifluoromethylbenzoic acid methyl ester
Methyl 2-amino-5-iodo-4-trifluoromethylbenzoate

MDL Number

MFCD11111107

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7)?

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7) is a crystalline solid with a molecular weight of approximately 435.85 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound is reactive towards nucleophiles but stable under acidic conditions. It is used in the synthesis of pharmaceuticals and other organic compounds.

How is Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7) typically synthesized?

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7) is typically synthesized through a multistep process involving the iodination of 4-(trifluoromethyl)benzoic acid followed by alkylation with methylamine. The reaction is carried out in the presence of a base, such as sodium hydride, and a catalyst. The yield and selectivity of the reaction are influenced by the choice of reagents and reaction conditions.

What industries use Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7)?

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7) is primarily used in the pharmaceutical industry for the synthesis of novel drugs. It is also used in the development of materials for sensors and semiconductors, due to its unique chemical properties.

What precautions should be taken when handling Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7)?

When handling Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate (CAS: 872624-52-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed down. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.