3,4,5-Trimethylaniline

Basic Information

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CAS Number

1639-31-2

Molecular Formula

C9H13N

Molecular Weight

135.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

79-80 ºC

Boiling Point

133-135 ºC (16 Torr)

Flash Point

109.6±14.0 ºC,

Refractive Index

1.552

SMILES

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CC1=CC(=CC(=C1C)C)N

InChI

InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3

InChIKey

BXCUMAUHMPSRPZ-UHFFFAOYSA-N

LogP

2.1940600000000003

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.3

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NS00025355
DTXSID30167675
A882500
1639-31-2
NSC403297
EH8A4NC8F3
3.4.5-Trimethylanilin
3,4,5-Trimethyl-benzenamine
AC-12729
EINECS 216-679-3
3,4,5-trimethylbenzeneamine
EN300-100222
CS-D0179
3,4,5-Trimethylbenzenamine
nsc 403297
3,4,5-Trimethylaniline
NSC-403297
BXCUMAUHMPSRPZ-UHFFFAOYSA-N
SY104919
GS-3886
Benzenamine, 3,4,5-trimethyl-
Aniline, 3,4,5-trimethyl-
MFCD00130022
BCP04550
AKOS006275173
SCHEMBL112391
NSC 403297
PubChem22360
3,4,5-trimethylphenylamine
EOS529
SBB085903

MDL Number

MFCD00130022

Customs Code

2921430090

FAQ

What is 3,4,5-Trimethylaniline (CAS: 1639-31-2)?

3,4,5-Trimethylaniline (CAS: 1639-31-2) is an organic compound with the chemical formula C9H15N. It is a colorless liquid with a characteristic odor. It is used as a precursor in the synthesis of various pharmaceuticals and industrial chemicals.

What are the main uses of 3,4,5-Trimethylaniline (CAS: 1639-31-2)?

3,4,5-Trimethylaniline (CAS: 1639-31-2) is primarily used in the synthesis of pharmaceuticals and as an intermediate in the production of dyes and other organic compounds. It is also used in research and development for its structural properties.

Is 3,4,5-Trimethylaniline (CAS: 1639-31-2) safe?

3,4,5-Trimethylaniline (CAS: 1639-31-2) is generally considered safe when handled properly. However, it may cause skin irritation and should be used with appropriate protective measures such as gloves and goggles. It is important to follow safety guidelines and work in a well-ventilated area.

How should 3,4,5-Trimethylaniline (CAS: 1639-31-2) be stored?

3,4,5-Trimethylaniline (CAS: 1639-31-2) should be stored in a well-ventilated, cool place away from direct sunlight. It should be kept in a sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and the container should be tightly sealed to prevent evaporation and contamination.