Ethyl 2-fluoro-5-iodobenzoate

Basic Information

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CAS Number

773136-66-6

Molecular Formula

C9H8FIO2

Molecular Weight

294.06 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

307.5°C at 760 mmHg

SMILES

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CCOC(=O)C1=C(C=CC(=C1)I)F

InChI

InChI=1S/C9H8FIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3

InChIKey

GHRYAGFJSZGCAQ-UHFFFAOYSA-N

LogP

2.607000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

187

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID00998559
FT-0714727
SCHEMBL4150684
AKOS017560251
DS-10433
A914446
Ethyl2-fluoro-5-iodobenzoate
Ethyl 2-fluoro-5-iodobenzoate
GHRYAGFJSZGCAQ-UHFFFAOYSA-N
MFCD06204769
Ethyl-2-fluoro-5-iodobenzoate
CS-0044520
C13331
773136-66-6
ethyl 2-fluoro-4-methoxybenzoate
ethyl 2-fluoro-5-iodobenzoate
2-fluoro-5-iodobenzoic acid ethyl ester
AK194648
TL8005309
Benzoic acid, 2-fluoro-5-iodo-, ethyl ester

MDL Number

MFCD06204769

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6)?

Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6) is a crystalline compound with a molecular weight of approximately 333.03 g/mol. It has a high solubility in organic solvents like methanol and acetone but is only slightly soluble in water. Chemically, it is relatively stable but can react with bases. It is typically stored at room temperature and away from humid environments.

How is Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6) typically synthesized?

Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6) can be synthesized through a multi-step process involving the initial formation of 2-fluoro-5-iodobenzoic acid followed by its esterification with ethanol. The synthesis typically uses thionyl chloride as an acylating agent and requires careful control of reaction conditions to achieve high yields and selectivity.

What industries use Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6)?

Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6) is primarily used in pharmaceutical and chemical industries for the synthesis of intermediates and active pharmaceutical ingredients. It also finds applications in the production of certain polymers and in analytical chemistry for reagent development.

What precautions should be taken when handling Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6)?

When handling Ethyl 2-fluoro-5-iodobenzoate (CAS: 773136-66-6), it is essential to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated area or fume hood due to its volatility. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures and emergency response information.