[4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride

Basic Information

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CAS Number

90734-55-7

Molecular Formula

C12H15ClO2

Molecular Weight

226.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

130-132 ºC (5 Torr)

Density

1.105±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Reacts with water.

Flash Point

108.1±23.1 ºC,

Refractive Index

1.5162 (589.3 nm 20 ºC)

SMILES

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CC(C)(C)C1=CC=C(C=C1)OCC(=O)Cl

InChI

InChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3

InChIKey

CFTNMBDQWVPSHI-UHFFFAOYSA-N

LogP

3.128300000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

212

Safety Information

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Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SCHEMBL628857
N11945
(4-tert-Butylphenoxy)acetyl chloride
(4-tert-butylphenoxy)acetic acid chloride
DTXSID50346324
2-(4-tert-butylphenoxy)ethanoyl chloride
F0001-2214
2-(4-tert-butylphenoxy)acetyl chloride
4-tert-butyl-phenoxyacetyl chloride
[4-(1,1-Dimethylethyl)phenoxy]acetyl chloride
FT-0683328
(4-tert-Butylphenoxy)acetyl chloride, AldrichCPR
AKOS000104013
4-tert-Butylphenoxyacetyl chloride
(4-tert-Butylphenoxy)acetyl chloride #
MFCD00798568
VS-04048
4-tert-Butylphenoxyacetyl cloride
A843628
(4-t-butyl-phenoxy)acetyl chloride
90734-55-7
para-t-butylphenoxyacetyl chloride
4-TERT-BUTYLPHENOXYACETYLCHLORIDE
2-(4-(tert-Butyl)phenoxy)acetyl chloride
Acetylchloride, [4-(1,1-dimethylethyl)phenoxy]- (9CI)
(p-tert-Butylphenoxy)acetyl chloride
2-[4-(tert-Butyl)phenoxy]acetylchloride
(4-tert-Butylphenoxy)acetylchloride

MDL Number

MFCD00798568

Customs Code

2918990090

FAQ

What are the physical and chemical properties of [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7)?

The compound, [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7), is a white crystalline solid with a molecular weight of approximately 257.29 g/mol. It is slightly water-soluble (0.015 g/L at 20°C). This compound is highly reactive due to its acylium and phenolic functionalities, making it susceptible to hydrolysis and nucleophilic substitution reactions.

How is [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7) typically synthesized?

The compound can be synthesized via the acylation of 2-methyl-2-propanephenoxy with acetyl chloride. The reaction is typically carried out in the presence of a Lewis acid catalyst such as aluminum chloride, with good selectivity and yield. The reaction conditions should be carefully controlled to avoid side reactions and ensure product purity.

What industries use [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7)?

This compound is primarily used in the pharmaceutical industry for the synthesis of certain pharmaceuticals. It is also utilized in the polymer industry as a monomer or cross-linking agent. Additionally, it has applications in the sensor and semiconductor industries where its reactivity and chemical properties are exploited.

What precautions should be taken when handling [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7)?

When handling [4-(2-Methyl-2-propanyl)phenoxy]acetyl chloride (CAS: 90734-55-7), it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. In case of a spill, follow the guidelines in the safety data sheet (SDS) and clean up using the appropriate absorbent materials. Ensure proper disposal of any waste according to local regulations.