Methyl 3-iodobenzoate

Basic Information

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CAS Number

618-91-7

Molecular Formula

C8H7IO2

Molecular Weight

262.05 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

46-50 °C

Boiling Point

277°C (rough estimate)

Density

1.7835 (estimate)

SMILES

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

InChI

InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

InChIKey

NPXOIGSBRLCOSD-UHFFFAOYSA-N

LogP

2.0778

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

147

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS008904097
AM20040870
FT-0602811
3-iodobenzoic acid methyl ester
CSC7QU45T9
A8569
EINECS 210-570-4
3-(Methoxycarbonyl)iodobenzene
W-105083
618-91-7
CS-W004679
m-iodobenzoic acid methyl ester
NSC 34639
SCHEMBL281
3-Iodomethylbenzoate
Benzoic acid, m-iodo-, methyl ester
NSC34639
EN300-171492
NSC-34639
DTXSID1060689
2-iodo-3-methyl-benzoate
methyl-3-iodobenzoate
Benzoic acid, 3-iodo-, methyl ester
Methyl 3-iodobenzoate
Methyl3-iodobenzoate
NS00034832
Methyl m-iodobenzoate
methyl-m-iodobenzoate
AC-7243
MFCD00061093
AS-33139

MDL Number

MFCD00061093

Customs Code

2916399090

FAQ

What is Methyl 3-iodobenzoate (CAS: 618-91-7)?

Methyl 3-iodobenzoate (CAS: 618-91-7) is an organic compound with the molecular formula C9H7IO3. It is a white crystalline solid with a pungent odor. This compound is used in various applications, including pharmaceuticals, research, and industry.

What are the main uses of Methyl 3-iodobenzoate (CAS: 618-91-7)?

Methyl 3-iodobenzoate (CAS: 618-91-7) is primarily used as a precursor in organic synthesis, in pharmaceutical research, and as an intermediate in the production of other chemicals. It is also used in the synthesis of dyes and as a reagent in various industrial applications.

Is Methyl 3-iodobenzoate (CAS: 618-91-7) safe?

Methyl 3-iodobenzoate (CAS: 618-91-7) can be handled safely with appropriate precautions. It is important to use gloves and protective glasses when handling this compound. Keep it away from heat and ignition sources, and avoid contact with skin and eyes. Inhalation of dust or fumes should be avoided.

How should Methyl 3-iodobenzoate (CAS: 618-91-7) be stored?

Methyl 3-iodobenzoate (CAS: 618-91-7) should be stored in a tightly closed container in a cool, dry, and well-ventilated place. Avoid exposure to direct sunlight and high temperatures. Store it away from incompatible materials such as reducing agents, oxidizers, and acids. Keep it out of reach of children and unauthorized personnel.