Benzisotriazole CAS#95-14-7
Simple Structure: 1H-Benzotriazole has a straightforward structure, making it a key compound in chemical research.
Environmental Impact: It serves as an environmental contaminant, important for pollution studies.
Xenobiotic Properties: Functions as a xenobiotic, interacting with biological systems as a foreign substance.
Research Utility: Used in environmental and toxicological research due to its well-defined chemical characteristics.
1H-Benzotriazole is the simplest compound in the benzotriazole family, featuring a benzene ring fused to a 1H-1,2,3-triazole structure. It serves as both an environmental contaminant and a xenobiotic.
Parameters
Melting point | 97-99 °C(lit.) |
Boiling point | 204 °C (15 mmHg) |
density | 1,36 g/cm3 |
bulk density | 500kg/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 |
pka | 1.6(at 20℃) |
color | White to yellow-beige |
Odor | Slight characteristic odor |
PH | 6.0-7.0 (100g/l, H2O, 20℃)suspension |
explosive limit | 2% |
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. |
InChIKey | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
LogP | 1.34 at 22.7℃ |
CAS DataBase Reference | 95-14-7(CAS DataBase Reference) |
NIST Chemistry Reference | 1H-Benzotriazole(95-14-7) |
EPA Substance Registry System | 1,2,3-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 Temperature | 400 °C |
Hazard Note | Harmful/Irritant |
TSCA | Yes |
HS Code | 29339990 |
Hazardous Substances Data | 95-14-7(Hazardous Substances Data) |
Toxicity | LD50 orally in Rabbit: 560 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
1H-Benzotriazole is an effective anticorrosive agent, commonly used in aircraft deicing and antifreeze fluids. It is also found in dishwasher detergents. Additionally, it acts as a restrainer in photographic emulsions and as a reagent for silver determination in analytical chemistry. Serving as a corrosion inhibitor, it is effective both in the atmosphere and underwater. Moreover, it plays a role in the synthesis of amines from glyoxal.
