2-Bromo-4-isopropylaniline

Basic Information

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CAS Number

51605-97-1

Molecular Formula

C9H12BrN

Molecular Weight

214.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

111°C/3.0mmHg

Water Solubility

Miscible with dioxane and ethoxyethanol. Immiscible with water.

Flash Point

118.2±21.8 ºC,

Refractive Index

1.5750 to 1.5790

SMILES

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CC(C)C1=CC(=C(C=C1)N)Br

InChI

InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3

InChIKey

WEMDUNBELVTSRP-UHFFFAOYSA-N

LogP

3.154700000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

125

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-bromo-4-propan-2-ylaniline
2-bromo-4-isopropyl-phenylamine
2-Bromo-4-isopropylaniline, AldrichCPR
AS-40499
51605-97-1
AM9774
CS-0154287
EN300-134449
B4724
AKOS015835137
Benzenamine, 2-bromo-4-(1-methylethyl)-
SY017092
A828683
2-bromo-4-(1-methylethyl)aniline
2-bromo-4-isopropyl aniline
BCA60597
2-Bromo-4-isopropylaniline
2-bromo-4-(propan-2-yl)aniline
SCHEMBL840544
MFCD00051585
FT-0617459
DTXSID70334622
2-bromo-4-(2-propyl)aniline
2-bromo4-isopropyl-phenylamine
2-Bromo-4-isopropylbenzenamine
2-Bromo-4-isopropylphenylamine
4-Isopropyl-2-bromoaniline
4-AMINO-2-BROMOCUMENE
WEMDUNBELVTSRP-UHFFFAOYSA-N
zlchem 981
PubChem17446

MDL Number

MFCD00051585

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-4-isopropylaniline (CAS: 51605-97-1)?

2-Bromo-4-isopropylaniline (CAS: 51605-97-1) is a white crystalline solid with a molecular weight of approximately 229.16 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and electrophiles, making it useful in various chemical transformations.

How is 2-Bromo-4-isopropylaniline (CAS: 51605-97-1) typically synthesized?

2-Bromo-4-isopropylaniline is typically synthesized through a reaction between 4-isopropylaniline and bromine in the presence of a suitable catalyst, such as iron(III) bromide. The reaction involves electrophilic aromatic substitution, leading to a high yield of the target compound with good selectivity.

What industries use 2-Bromo-4-isopropylaniline (CAS: 51605-97-1)?

2-Bromo-4-isopropylaniline (CAS: 51605-97-1) is used in the pharmaceutical industry for the synthesis of certain drug intermediates, and in the chemical industry for the production of dyes and pigments. It also finds applications in the development of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 2-Bromo-4-isopropylaniline (CAS: 51605-97-1)?

When handling 2-Bromo-4-isopropylaniline (CAS: 51605-97-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of vapors. Spills should be handled by carefully collecting and disposing of the material according to safety data sheet (SDS) guidelines.