2-(4-Chlorophenyl)-3-methylbutanoic acid

Basic Information

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CAS Number

2012-74-0

Molecular Formula

C11H13ClO2

Molecular Weight

212.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

87.0 to 91.0 deg-C

Boiling Point

318.7°C at 760 mmHg

Density

1.184

Flash Point

>230 °F

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)

InChIKey

VTJMSIIXXKNIDJ-UHFFFAOYSA-N

LogP

3.164200000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

196

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

alpha-Isopropyl-p-chlorophenylacetic acid
(RS)-Fenvaleric acid
CS-0015834
2-(p-chlorophenyl)-3-methyl-butyric acid
4-chloro-alpha-(1-methyl-ethyl)benzeneacetic acid
SB38063
4-chloro-alpha-(1-methylethyl)benzeneacetic acid
C2741
isopropyl(4-chlorophenyl)acetic acid
rac-2-(4-chlorophenyl)-3-methylbutanoic acid
2-(4-Chloro-phenyl)-3-methylbutyric acid
MFCD00037763
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
IDI1_007535
HMS1408A20
2-(p-Chlorophenyl)-3-methyl butyric acid
2-(4-Chloro-phenyl)-3-methyl-butyric acid
AKOS016843430
Q27119827
NCGC00329284-01
(+/-)-2-(4-Chlorophenyl)isovaleric acid; (+/-)-2-(p-Chlorophenyl)-3-methylbutyric acid; (+/-)-Fenvaleric acid
SY025440
Z56887655
Enamine_004948
.alpha.-(p-Chlorophenyl)isovaleric acid
BUTYRIC ACID, 2-(p-CHLOROPHENYL)-3-METHYL-
AML0008
2-(4-Chlorophenyl)-3-methylbutyric acid
esfenvalerate TP2
MFCD11858304
W-107646

MDL Number

MFCD00037763

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0)?

2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) falls under several regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as an environmentally hazardous substance. For European markets, it must comply with REACH regulations, and in the United States, it is subject to FDA and EPA guidelines regarding its manufacturing, handling, and disposal.

Are there alternatives to 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) in synthesis?

In synthesis, 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) can be replaced by similar compounds such as 2-(3-chlorophenyl)-3-methylbutanoic acid. Common alternative reagents include chlorobenzene and methyl acrylate. These alternatives can be used to achieve similar chemical properties and functionalities in various applications.

What is the market or research trend for 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0)?

The market for 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) is driven by its use in pharmaceuticals and industrial chemicals. Recent research trends focus on its application in the development of new drug candidates and as a building block for organic synthesis. Market trends suggest an increasing demand in pharmaceutical research and production, with price stability observed in recent years.

How should waste containing 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) be handled?

Waste containing 2-(4-Chlorophenyl)-3-methylbutanoic acid (CAS: 2012-74-0) should be handled carefully to prevent environmental contamination. Collection should be done in designated containers, and the waste should be incinerated or disposed of by a professional hazardous waste disposal service. Environmental protection measures include proper containment to prevent spills and ensuring that all disposal procedures comply with local, state, and federal regulations.