2-Isopropylaniline

Basic Information

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CAS Number

643-28-7

Molecular Formula

C9H13N

Molecular Weight

135.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

-6.87°C (estimate)

Boiling Point

104°C/13mmHg

Density

0.955 g/mL at 25 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.548(lit.)

Vapor Pressure

0.05 mmHg ( 20 °C)

SMILES

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CC(C)C1=CC=CC=C1N

InChI

InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3

InChIKey

YKOLZVXSPGIIBJ-UHFFFAOYSA-N

LogP

2.3922

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

98.9

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

2-(1-Methylethyl)aniline
2-Isopropyl aniline
2-Aminoisopropylbenzene
2-isopropyl-aniline
BRN 0636283
o-Cumidine
Benzenamine, 2-(1-methylethyl)-
Z104475672
DTXSID6052328
2-Isopropylaniline, 97%
o-Aminoisopropylbenzene
2-Isopropylanine
2-isopropyaniline
PS-4565
4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID
W-104849
o-Isopropylaniline
1-Amino-2-isopropylbenzene
CHEBI:183339
FT-0611237
SCHEMBL104513
SY006015
2-(Propan-2-Yl)Aniline
CS-W013349
2-i-propylaniline
EN300-19829
Tox21_303899
2-ISOPROPYLANILINE
Aniline, o-isopropyl-
MFCD00007720
NCGC00357153-01

MDL Number

MFCD00007720

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Isopropylaniline (CAS: 643-28-7)?

2-Isopropylaniline (CAS: 643-28-7) is a white crystalline solid with a molecular weight of 144.22 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is a weak base and exhibits mild reactivity, particularly under basic conditions. It can undergo electrophilic aromatic substitution reactions and can form complexes with heavy metals.

How is 2-Isopropylaniline (CAS: 643-28-7) typically synthesized?

2-Isopropylaniline is typically synthesized by the amination of 2-isopropyltoluene. This process involves reacting 2-isopropyltoluene with ammonia in the presence of a catalyst such as an iron or copper catalyst. The process yields 2-Isopropylaniline with good selectivity and moderate to high yield under controlled conditions.

What industries use 2-Isopropylaniline (CAS: 643-28-7)?

2-Isopropylaniline (CAS: 643-28-7) is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drugs. It is also utilized in the production of dyes, as a precursor in the manufacturing of polymers, and in sensors for detecting aromatic amines. Additionally, it finds application in the formulation of semiconductors and as an intermediate in the synthesis of other organic compounds.

What precautions should be taken when handling 2-Isopropylaniline (CAS: 643-28-7)?

When handling 2-Isopropylaniline (CAS: 643-28-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions to ensure safety. Storage should be in a cool, dry place, away from incompatible materials.