Tert-butyl 4-iodobenzoate

Basic Information

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CAS Number

120363-13-5

Molecular Formula

C11H13IO2

Molecular Weight

304.13 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 Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Melting Point

107-110 ºC (hexane )

Boiling Point

310.2±25.0°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C11H13IO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3

InChIKey

QHHNHUWOOFETNQ-UHFFFAOYSA-N

LogP

3.246500000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

200

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

tert-Butyl 4-iodobenzoate
4-Iodobenzoicacid-tert-Butylester
tert-Butyl p-iodobenzoate
4-iodo-tert-butyl benzoate
1,1-DiMethylethyl 4-iodobenzoate
4-Iodobenzoic acid tert-butyl ester
4-Iodobenzoic Acid 1,1-DiMethylethyl Ester
Benzoic acid, 4-iodo-, 1,1-diMethylethyl ester
4-Iodo-benzoic acid tert-butyl ester
CS-0041087
tert-Butyl-4-iodobenzoate
Tert-butyl 4-iodobenzoate
QHHNHUWOOFETNQ-UHFFFAOYSA-N
t-butyl p-iodobenzoate
4-Iodobenzoic Acid tert-butyl Ester
AR3341
4-Iodobenzoic Acid 1,1-Dimethylethyl Ester; 1,1-Dimethylethyl 4-iodobenzoate; tert-Butyl p-Iodobenzoate;
MFCD11501908
A26001
120363-13-5
AKOS010054648
SCHEMBL1560690
1,1-Dimethylethyl 4-iodobenzoate
DB-353051
DTXSID40456345
SY115688
AS-10216
Tert-butyl4-iodobenzoate

MDL Number

MFCD11501908

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Tert-butyl 4-iodobenzoate (CAS: 120363-13-5)?

Tert-butyl 4-iodobenzoate (CAS: 120363-13-5) is a solid with a crystalline form. The molecular weight is approximately 320.02 g/mol. It has low water solubility but is soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions, making it useful in organic synthesis.

How is Tert-butyl 4-iodobenzoate (CAS: 120363-13-5) typically synthesized?

Tert-butyl 4-iodobenzoate (CAS: 120363-13-5) is typically synthesized through the reaction of 4-iodobenzoic acid with tert-butyl alcohol in the presence of a catalyst such as sulfuric acid or p-toluenesulfonic acid, followed by removal of the acid to yield the ester product with high yield and good selectivity.

What industries use Tert-butyl 4-iodobenzoate (CAS: 120363-13-5)?

Tert-butyl 4-iodobenzoate (CAS: 120363-13-5) finds applications in various industries, particularly in pharmaceuticals for producing intermediates, in polymer science for monomer synthesis, and in the synthesis of sensors and semiconductors as a key reagent due to its reactivity and specific functional groups.

What precautions should be taken when handling Tert-butyl 4-iodobenzoate (CAS: 120363-13-5)?

When handling Tert-butyl 4-iodobenzoate (CAS: 120363-13-5), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully following standard laboratory protocols. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.