4-Hexylaniline

Basic Information

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CAS Number

33228-45-4

Molecular Formula

C12H19N

Molecular Weight

177.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

-45°C (estimate)

Boiling Point

285°C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.525(lit.)

SMILES

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CCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3

InChIKey

OVEMTTZEBOCJDV-UHFFFAOYSA-N

LogP

3.3916000000000013

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

114

Safety Information

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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

Sensitiveness

Light Sensitive

Synonyms & References

English

ANILINE, P-HEXYL-
DTXCID3020708
Tox21_302012
UNII-U3C0879ZGC
J-019099
4-hexylphenylamine
4-Hexylaniline, technical grade, 90%
SCHEMBL595535
CHEMBL3189026
NS00029443
DTXSID5040708
O11232
NCGC00255570-01
BRN 2085111
DS-5420
AKOS015839945
ANILINE, (p-HEXYL)-
CAS-33228-45-4
A821679
p-Hexylaniline
4-Hexylaniline
4-N-Hexylaniline
MFCD00007927
p-n-Hexylaniline
Q27290637
CS-W019284
H0890
J-515449
4-12-00-02868 (Beilstein Handbook Reference)
U3C0879ZGC
EINECS 251-409-8

MDL Number

MFCD00007927

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 4-Hexylaniline (CAS: 33228-45-4)?

4-Hexylaniline (CAS: 33228-45-4) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid. In the European Union, it falls under the REACH regulations, requiring registration and evaluation by manufacturers and importers. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific guidelines. It is advisable to consult the latest regulatory documents for detailed compliance requirements.

Are there alternatives to 4-Hexylaniline (CAS: 33228-45-4) in synthesis?

Yes, there are alternatives to 4-Hexylaniline (CAS: 33228-45-4) in synthesis, such as 2-Hexylaniline and 3-Hexylaniline. These alternatives can offer similar functionalities depending on the specific application. Additionally, researchers often explore other aromatic amines like aniline and substituted anilines as substitutes based on the desired properties and reaction conditions.

What is the market or research trend for 4-Hexylaniline (CAS: 33228-45-4)?

The market for 4-Hexylaniline (CAS: 33228-45-4) is driven by its applications in the production of dyes, pigments, and pharmaceuticals. Recent research trends focus on developing more sustainable and environmentally friendly production methods. The trend also includes exploring new applications in the field of organic electronics and functional materials. Market demand remains stable, but there is a growing emphasis on green chemistry practices.

How should waste containing 4-Hexylaniline (CAS: 33228-45-4) be handled?

Waste containing 4-Hexylaniline (CAS: 33228-45-4) should be collected in appropriate containers, ensuring proper sealing to prevent leakage. Incineration is a common method for disposal, but this should be done by a licensed facility to comply with environmental regulations. Alternatively, professional waste disposal services can be used. Environmental protection precautions include wearing appropriate personal protective equipment and following local waste management guidelines to ensure safe disposal and minimize environmental impact.