4-Bromo-2,6-diisopropylaniline

Basic Information

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CAS Number

80058-84-0

Molecular Formula

C12H18BrN

Molecular Weight

256.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

110°C/0.14mmHg

SMILES

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CC(C)C1=CC(=CC(=C1N)C(C)C)Br

InChI

InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3

InChIKey

QAQRHTYPYQPBSX-UHFFFAOYSA-N

LogP

4.278100000000003

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

161

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

2,6-diisopropyl-4-bromoaniline
QAQRHTYPYQPBSX-UHFFFAOYSA-N
Benzenamine, 4-bromo-2,6-bis(1-methylethyl)-
AM83137
DTXSID40472464
FT-0647278
SCHEMBL636376
SY104405
4-Bromo-2,6-bis(1-methylethyl)benzenamine
AKOS016846086
4-bromo-2,6-di-iso-propylaniline
B4113
4-bromo-2,6-di(propan-2-yl)aniline
A839824
80058-84-0
DS-12932
4-bromo-2,6-bis(propan-2-yl)aniline
CS-W019405
4-Bromo-2,6-diisopropylaniline
4-bromo-2,6-diisopropylphenylamine
MFCD09743895
4-BROMO-2,6-BIS(1-METHYLETHYL)BENZENAMINE
4-bromo-2,6-diisopropylbenzenamine
Benzenamine,4-bromo-2,6-bis(1-methylethyl)-
FCH1392459
4-bromanyl-2,6-di(propan-2-yl)aniline
S723
AX8022661
4-BROMO-

MDL Number

MFCD09743895

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 4-Bromo-2,6-diisopropylaniline (CAS: 80058-84-0)?

4-Bromo-2,6-diisopropylaniline is a white crystalline solid with a molecular weight of approximately 312.23 g/mol. It has low water solubility and is more soluble in organic solvents like acetone and toluene. The compound is moderately reactive and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is 4-Bromo-2,6-diisopropylaniline (CAS: 80058-84-0) typically synthesized?

4-Bromo-2,6-diisopropylaniline is typically synthesized by bromination of 2,6-diisopropylaniline using bromine in the presence of a catalyst such as iron(III) bromide. The reaction yields a mixture that can be purified through recrystallization. The process requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use 4-Bromo-2,6-diisopropylaniline (CAS: 80058-84-0)?

4-Bromo-2,6-diisopropylaniline is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring aromatic brominated intermediates. It is also used in the production of dyes and pigments, as well as in the synthesis of organic compounds for use in semiconductors and sensors.

What precautions should be taken when handling 4-Bromo-2,6-diisopropylaniline (CAS: 80058-84-0)?

When handling 4-Bromo-2,6-diisopropylaniline, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up carefully using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions. Storage should be in a cool, dry place away from heat sources and incompatible materials.