Benzisotriazole CAS#95-14-7

1H-Benzotriazole is a versatile compound with dual value in both scientific research and industrial applications. Its simple molecular structure, stable chemical properties, and diverse application scenarios make it a critical material in environmental toxicology, material science, and industrial production. As a research tool, it provides a reliable model for studying xenobiotic metabolism and environmental pollution; as an industrial additive, it offers effective corrosion protection and supports the development of green, efficient production processes.

1H-Benzotriazole Technical & Research Brief

1. Core Structural & Chemical Characteristics

1.1 Simplified Molecular Structure

1H-Benzotriazole is the simplest member of the benzotriazole family, featuring a compact molecular structure: a benzene ring directly fused with a 1H-1,2,3-triazole ring. This straightforward structural design not only ensures stable chemical properties but also makes it a typical model compound in organic chemistry research, facilitating easy handling in both laboratory and industrial scenarios.

1.2 Key Physicochemical Traits

Structural Advantage: The minimal molecular framework (benzene ring + triazole ring) ensures predictable reactivity, with clear interaction rules in biological and environmental systems.

Dual Classification: It is classified as both anenvironmental contaminant (widely present in water and soil) and a xenobiotic (a foreign substance to biological systems), laying the foundation for its diverse research and application value.

2. Research & Environmental Significance

2.1 Environmental Contaminant Attribute

As a common environmental contaminant, 1H-Benzotriazole is widely detected in both aquatic and terrestrial ecosystems due to its extensive industrial applications. Its persistence and bioaccumulation potential make it a key research object for:

Water pollution monitoring and ecological risk assessment.

Studies on the migration and transformation of organic contaminants in natural environments.

2.2 Xenobiotic Properties

As a xenobiotic substance, it interacts with biological systems by triggering metabolic stress and enzymatic changes, serving as a typical model for:

Toxicological research on foreign substances in biological systems.

The development of bioremediation technologies for organic contaminants.

2.3 Research Utility

Its well-defined chemical properties (stable structure, predictable reactivity) make it an ideal research tool for:

Environmental Toxicology: Studying xenobiotic metabolism and ecological impacts.

Analytical Chemistry: Developing detection methods for organic contaminants in water, soil, and air.

Material Science: Exploring corrosion inhibition mechanisms and material modification.

3. Industrial & Practical Applications

3.1 Corrosion Inhibition (Core Industrial Use)

As a high-efficiency corrosion inhibitor, 1H-Benzotriazole is widely used in industrial production, mainly including:

Aviation & Automobile Industry: Added to aircraft deicing fluids, antifreeze, and metalworking fluids to protect copper, brass, and steel components from corrosion.

Industrial Systems: Applied in closed-loop cooling systems, water pipelines, and metal storage tanks to extend service life and ensure operational stability.

3.2 Household & Commercial Applications

Dishwasher Detergents: Acts as a corrosion inhibitor to protect metal components of dishwashers and reduce spotting on glassware.

Photographic Industry: Serves as a stabilizer in silver halide photographic emulsions, improving image quality and processing stability.

3.3 Analytical & Synthetic Applications

Analytical Chemistry: Used as a key reagent for the detection and quantitative analysis of silver ions.

Organic Synthesis: Serves as a building block for amine synthesis and other nitrogen-containing organic compounds, supporting the pharmaceutical and fine chemical industries.

Benzisotriazole CAS#95-14-7

Parameters

Melting point 97-99 °C(lit.)
Boiling point 204 °C (15 mmHg)
density 1,36 g/cm3
bulk density500kg/m3
vapor density 4.1 (vs air)
vapor pressure 0.04 mm Hg ( 20 °C)
refractive index 1.5589 (estimate)
Fp 170 °C
storage temp. Store below +30°C.
solubility 19g/l
form Powder, Granules, Crystals, Needles or Flakes
pka1.6(at 20℃)
color White to yellow-beige
OdorSlight characteristic odor
PH6.0-7.0 (100g/l, H2O, 20℃)suspension
explosive limit2%
Water Solubility 25 g/l in water (20 ºC)
Merck 14,1108
BRN 112133
Stability:Stable, but may be light sensitive. Incompatible with strong oxidizing agents, heavy metals.
InChIKeyQRUDEWIWKLJBPS-UHFFFAOYSA-N
LogP1.34 at 22.7℃
CAS DataBase Reference95-14-7(CAS DataBase Reference)
NIST Chemistry Reference1H-Benzotriazole(95-14-7)
EPA Substance Registry System1,2,3-Benzotriazole (95-14-7)

 Safety Information

Hazard Codes Xn,Xi,F
Risk Statements 20/22-36-52/53-5-36/37/38-20/21/22-11
Safety Statements 26-36/37-61-45-36/37/39-28A
RIDADR 2811
WGK Germany 1
RTECS DM1225000
Autoignition Temperature400 °C
Hazard Note Harmful/Irritant
TSCA Yes
HS Code 29339990
Hazardous Substances Data95-14-7(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 560 mg/kg LD50 dermal Rabbit > 2000 mg/kg

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