1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one

Basic Information

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CAS Number

58068-80-7

Molecular Formula

C14H19N3O

Molecular Weight

245.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

379.3°C at 760 mmHg

Density

1.12±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

183.2°C

Refractive Index

1.582

SMILES

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CCCCCCCC(=O)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H19N3O/c1-2-3-4-5-6-11-14(18)17-13-10-8-7-9-12(13)15-16-17/h7-10H,2-6,11H2,1H3

InChIKey

QIYQQEDMCSJOAC-UHFFFAOYSA-N

LogP

3.432000000000002

Topological Polar Surface Area

47.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

270

Synonyms & References

English

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one
1-(benzotriazol-1-yl)octan-1-one
1-OCTANOYL BENZOTRIAZOLE
1-(n-octanoyl)benzotriazole
1-Benzotriazol-1-yl-octan-1-one
N-OCTANOYL BENZOTRIAZOLE
N-Octanoylbenzotriazole
1-Octanoylbenzotriazole
BAS 00397221
1-Octanoyl-1H-benzotriazole
EBD209651
8584AB
1-(1H-Benzotriazol-1-yl)octan-1-one
AK104516
AX8238724
ST24036984
AKOS000741911
F11447
58068-80-7
SCHEMBL534984
n-octanoylbenzotriazole
DTXSID70389273
MFCD00690106
1-Octanoyl benzotriazole
DS-4234
A869532
DB-328338
1-Octanoylbenzotriazole; N-Octanoylbenzotriazole; 1-(1-Oxooctyl)-1H-benzotriazole
1-OCTANOYLBENZOTRIAZOLE
1-(1H-Benzotriazol-1-yl)-1-octanone
CS-0152292

MDL Number

MFCD00690106

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7)?

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a potentially hazardous substance due to its chemical structure, and manufacturers and distributors must comply with these guidelines to ensure safety and environmental protection.

Are there alternatives to 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one in synthesis?

In the synthesis of related compounds, alternatives to 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7) include using similar triazole derivatives or other functionalized octanone compounds. Common alternatives include 1-(1H-benzotriazol-1-yl)octan-1-one and other analogs, which can serve similar purposes in different applications.

What is the market or research trend for 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7)?

The market for 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7) is driven by its applications in pharmaceuticals and agrochemicals. Research trends suggest an increasing focus on its use in developing new drug candidates and crop protection chemicals. Price trends indicate stability with slight fluctuations, driven by supply and demand dynamics.

How should waste containing 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7) be handled?

Waste containing 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one (CAS: 58068-80-7) should be collected and disposed of in accordance with local and international regulations. It is advisable to use professional waste disposal services to ensure safe incineration or other methods in compliance with environmental protection standards. Proper handling includes minimizing exposure and using appropriate personal protective equipment.