4-Butylaniline

Basic Information

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CAS Number

104-13-2

Molecular Formula

C10H15N

Molecular Weight

149.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

-14 ºC

Boiling Point

250°C

Refractive Index

n20/D 1.535(lit.)

SMILES

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CCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3

InChIKey

OGIQUQKNJJTLSZ-UHFFFAOYSA-N

LogP

2.6114000000000006

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

Safety Information

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GHS Hazard Pictograms

H301

H311

H315

H319

H331

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

CAS-104-13-2
104-13-2
4-Butylbenzeneamine
1219794-89-4
NCGC00257260-01
Tox21_303446
p-normalbutylaniline
p-Butyl aniline
NS00015813
p-Butylaniline
4-butyl-phenylamine
1-Amino-4-butylbenzene
BRN 1447268
F2190-0424
AKOS000119870
p-Butylaminobenzene
Aniline, p-butyl-
1219794-78-1
4-N-BUTYL-D9-ANILINE
4-n-butyl aniline
4-N-BUTYLANILINE-D15
4-Butylbenzenamine
CHEMBL3181902
p-Aminobutylbenzene
(4-Butylphenyl)amine; 4-Butylaniline
4-n-Butylaniline
Z104475500
CS-0008309
FS-4059
W-108824
4-n-butyl-aniline

MDL Number

MFCD00007925

Customs Code

29214980

FAQ

What regulatory guidelines apply to 4-Butylaniline (CAS: 104-13-2)?

4-Butylaniline (CAS: 104-13-2) is classified as a hazardous chemical under GHS (Globally Harmonized System of Classification and Labelling of Chemicals) due to its corrosive and toxic properties. It is subject to REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) regulations in the EU, requiring companies to provide safety data sheets (SDS) and ensure proper labeling. FDA and EPA regulations in the U.S. may also apply for its use in pharmaceuticals and pesticides, respectively, requiring appropriate handling and disposal methods.

Are there alternatives to 4-Butylaniline (CAS: 104-13-2) in synthesis?

Yes, there are alternatives to 4-Butylaniline (CAS: 104-13-2) in synthesis, such as 4-Tert-Butylaniline and 4-Methylaniline. These compounds can serve similar functional groups and reaction profiles in various chemical processes. Researchers often choose these alternatives based on cost, availability, and specific chemical properties required for their synthesis.

What is the market or research trend for 4-Butylaniline (CAS: 104-13-2)?

The market for 4-Butylaniline (CAS: 104-13-2) is relatively stable, primarily driven by its use in the production of dyes, drugs, and pesticides. Research trends focus on developing safer and more efficient synthesis methods and exploring its applications in new areas such as polymer chemistry and advanced materials. However, its use is increasingly regulated due to environmental and health concerns, leading to a push for greener alternatives.

How should waste containing 4-Butylaniline (CAS: 104-13-2) be handled?

Waste containing 4-Butylaniline (CAS: 104-13-2) should be collected in appropriate containers, labeled with the correct hazard symbols, and stored in a secure location. Incineration is a common method for disposal, but professional chemical waste disposal services are recommended to ensure compliance with local and international regulations. Environmental protection measures, such as containment and preventive measures to avoid spillage, should be strictly followed to minimize environmental impact.