4-(1H-1,2,4-Triazol-1-ylmethyl)aniline

Basic Information

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CAS Number

119192-10-8

Molecular Formula

C9H10N4

Molecular Weight

174.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

126.0 to 130.0 deg-C

Boiling Point

402.1°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

197℃

Refractive Index

1.663

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=CC(=CC=C1CN2C=NC=N2)N

InChI

InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2

InChIKey

ZGLQVRIVLWGDNA-UHFFFAOYSA-N

LogP

0.9086000000000002

Topological Polar Surface Area

56.730000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

154

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(4-Aminobenzyl)-1H-1,2,4-triazole
4-(1h-1,2,4-triazol-1-ylmethyl) aniline
4-[1,2,4]triazol-1-ylmethylphenylamine
4-((1H-1,2,4-triazol-1-yl)methyl)aniline
TS-02410
AR-011/40584933
1-(4-Aminobenzyl)-1,2,4-triazole
4-((1H-1,2,4-triazol-1-yl)methyl)benzenamine;1-(4-AMINOBENZYL)-1,2,4-TRIAZOLE
4-(1H-1,2,4-triazol-1-ylmethyl)aniline
FT-0642914
AKOS000127887
DTXSID00356296
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline, AldrichCPR
4-[(1H-1,2,4-Triazol-1-yl)methyl]aniline
SCHEMBL3460891
4-(1,2,4-triazol-1-yl-methyl)-aniline
119192-10-8
BB 0255172
SY005205
CS-W002719
4-[1,2,4]Triazol-1-ylmethyl-phenylamine
4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine
4-(1,2,4-Triazol-1-ylmethyl)aniline
Z239137448
SCHEMBL264856
AM20050533
EN300-30834
1-(4-aminophenyl) methyl-1,2,4-triazole
4-(1H-1,2,4-triazol-1-ylmethyl)phenylamine
AC-3463
4-(1h-1,2,4-triazol-1-yl-methyl)benzenamine

MDL Number

MFCD00973306

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8)?

4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8) is a white crystalline solid with a molecular weight of approximately 224.24 g/mol. It has a solubility of 0.125 g/L in water. The compound is relatively stable but can react with strong acids and bases. It shows good reactivity towards electrophilic substitution reactions.

How is 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8) typically synthesized?

4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8) is commonly synthesized via the reaction of aniline with 1,2,4-triazole using a suitable base as a catalyst. The process involves heating the mixture under mild conditions to achieve a high yield and good selectivity.

What industries use 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8)?

4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8) finds application in the pharmaceutical industry due to its potential as a precursor for drug synthesis. It is also used in the polymer industry for developing functional materials. Additionally, it has applications in sensor technology and semiconductor manufacturing as a functional group.

What precautions should be taken when handling 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8)?

When handling 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS: 119192-10-8), ensure proper ventilation and use a fume hood to prevent inhalation. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Dispose of any waste in accordance with local regulations and store the compound in a cool, dry place away from incompatible materials. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.