Methyl 2-amino-5-iodobenzoate

Basic Information

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CAS Number

77317-55-6

Molecular Formula

C8H8INO2

Molecular Weight

277.06 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

Melting Point

83.0 to 87.0 deg-C

Boiling Point

156.9℃ at 760 mmHg

Density

1.826

Flash Point

156.9°C

Refractive Index

1.647

SMILES

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COC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C8H8INO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3

InChIKey

NNXVARLKWUFGGG-UHFFFAOYSA-N

LogP

1.66

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

FT-0620513
methyl 2-amino-5-iodobenzoate
MFCD00798574
77317-55-6
SCHEMBL140846
AC-22954
2-amino-5-iodo-benzoic acid methyl ester
methyl-2-amino-5-iodobenzoate
A839050
PS-5221
EN300-134671
4-Iodo-2-(methoxycarbonyl)aniline
AKOS003297664
Methyl 5-Iodoanthranilate
methyl 2-azanyl-5-iodanyl-benzoate
5-Iodoanthranilic Acid Methyl Ester
I10181
AM20041155
I0516
Benzoic acid, 2-amino-5-iodo-, methyl ester
SY041013
DTXSID40357227
2-Amino-5-iodobenzoic Acid Methyl Ester
CS-0150866
Iodoanthranilicacidmethylester
NNXVARLKWUFGGG-UHFFFAOYSA-N
AO-080/42239455
Methyl 2-amino-5-iodobenzoate
Anthranilicacid, 5-iodo-, methyl ester (6CI)
Methyl5-iodoanthranilate
C8H8INO2

MDL Number

MFCD00798574

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 2-amino-5-iodobenzoate (CAS: 77317-55-6)?

Methyl 2-amino-5-iodobenzoate is a crystalline solid with a molecular weight of approximately 334.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong acids to release iodine. It has a low reactivity under most laboratory conditions but care should be taken to avoid prolonged exposure to heat or strong reducing agents.

How is Methyl 2-amino-5-iodobenzoate (CAS: 77317-55-6) typically synthesized?

Methyl 2-amino-5-iodobenzoate is typically synthesized via the reaction of methyl 2-bromobenzoate with potassium iodide in the presence of a base such as potassium carbonate. The reaction yields a high purity product with good selectivity. Common solvents include dimethylformamide (DMF) or N,N-dimethylacetamide (DMA). The process usually involves refluxing the mixture until the reaction is complete, followed by purification steps such as recrystallization.

What industries use Methyl 2-amino-5-iodobenzoate (CAS: 77317-55-6)?

Methyl 2-amino-5-iodobenzoate is used in the pharmaceutical industry for the synthesis of certain medicinals due to its amino and iodine substituents. It is also utilized in the polymer industry for the preparation of functional polymers. Additionally, it has applications in the semiconductor industry for the development of organic electronic materials and sensors. Its unique chemical properties make it suitable for various advanced material applications.

What precautions should be taken when handling Methyl 2-amino-5-iodobenzoate (CAS: 77317-55-6)?

When handling Methyl 2-amino-5-iodobenzoate, appropriate personal protective equipment (PPE) should be worn, including safety goggles, gloves, and a lab coat. The compound should be handled in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. A safety data sheet (SDS) should be consulted for detailed handling and storage instructions. This compound is not considered highly toxic, but care should be taken to avoid skin contact and inhalation of dust or fumes.