5-Butyl-1H-benzotriazole

Basic Information

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CAS Number

3663-24-9

Molecular Formula

C10H13N3

Molecular Weight

175.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

75 ºC (ligroine )

SMILES

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CCCCC1=CC2=NNN=C2C=C1

InChI

InChI=1S/C10H13N3/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9/h5-7H,2-4H2,1H3,(H,11,12,13)

InChIKey

ZCFMGIGLXOKMJC-UHFFFAOYSA-N

LogP

2.3005000000000004

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

160

Synonyms & References

English

5-Butyl-1H-benzo[d][1,2,3]triazole
5-butyl-2H-benzotriazole
5-n-Butylbenzotriazole
5-butyl-1H-benzotriazole
5-butylbenzotriazole
ZCFMGIGLXOKMJC-UHFFFAOYSA-N
AK142663
6-butyl-1H-benzotriazole
1H-1,2,3-benzotriazole, 6-butyl-
FCH2294571
AX8282478
ST24044563
Y1905
DB-253402
5-BUTYL-1H-1,2,3-BENZOTRIAZOLE
SCHEMBL242265
5-Butyl-1H-benzo[d][1 pound not2 pound not3]triazole
AKOS022175153
5-butyl-3H-1,2,3-benzotriazole
3663-24-9
1H-Benzotriazole, 6-butyl-
5-Butyl-1H-benzotriazole
CS-0152343
DS-6521
D70730
MFCD22581692
DTXSID50893146
1H-Benzotriazole, 5-butyl-
A874311

MDL Number

MFCD22581692

FAQ

What are the physical and chemical properties of 5-Butyl-1H-benzotriazole (CAS: 3663-24-9)?

5-Butyl-1H-benzotriazole (CAS: 3663-24-9) is a crystalline compound with a molecular weight of approximately 212.32 g/mol. It is sparingly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound is known for its stability and low reactivity under normal conditions, making it suitable for various applications in industry and research.

How is 5-Butyl-1H-benzotriazole (CAS: 3663-24-9) typically synthesized?

5-Butyl-1H-benzotriazole is typically synthesized via the reaction of 4-bromo-1H-benzotriazole with n-butyl lithium in tetrahydrofuran (THF). The reaction is conducted under anhydrous conditions to ensure high yield and selectivity. The use of appropriate catalysts and solvents can enhance the reaction efficiency and product purity.

What industries use 5-Butyl-1H-benzotriazole (CAS: 3663-24-9)?

5-Butyl-1H-benzotriazole (CAS: 3663-24-9) is widely used in various industries including pharmaceuticals, where it serves as a photostabilizer in drug formulations, and in the production of polymers, where it acts as a light stabilizer. It also finds applications in the manufacturing of sensors and semiconductors as an additive to improve material properties.

What precautions should be taken when handling 5-Butyl-1H-benzotriazole (CAS: 3663-24-9)?

When handling 5-Butyl-1H-benzotriazole (CAS: 3663-24-9), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be flushed with water. Refer to the safety data sheet (SDS) for detailed information on handling and storage requirements.