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1H-Benzotriazole

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1H-Benzotriazole Basic information

Product Name:
1H-Benzotriazole
CAS:
95-14-7
MF:
C6H5N3
MW:
119.12
EINECS:
202-394-1
Mol File:
95-14-7.mol
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1H-Benzotriazole Chemical Properties

Melting point:
97-99 °C(lit.)
Boiling point:
204 °C (15 mmHg)
Density 
1,36 g/cm3
vapor density 
4.1 (vs air)
vapor pressure 
0.04 mm Hg ( 20 °C)
refractive index 
1.5589 (estimate)
Flash point:
170 °C
storage temp. 
Refrigerator
solubility 
19g/l
pka
1.6(at 20℃)
form 
Powder, Granules, Crystals, Needles or Flakes
color 
White to yellow-beige
PH
6.0-7.0 (100g/l, H2O, 20℃)suspension
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
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)
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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

MSDS

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1H-Benzotriazole Usage And Synthesis

Chemical Properties

yellow to beige solid

Uses

Benzotriazole (BT) is an anticorrosive agent well known for its use in aircraft deicing and antifreeze fluids but also used in dishwasher detergents. in vivo.

Definition

ChEBI: The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.

General Description

White to light tan crystals or white powder. No odor.

Air & Water Reactions

Dust may form an explosive mixture in air. Slightly soluble in water.

Reactivity Profile

The triazoles are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type substitution to the triazole ring. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives.

Hazard

Highly toxic by ingestion. May explode under vacuum distillation.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition 1H-Benzotriazole emits toxic fumes. 1H-Benzotriazole can react violently during vacuum distillation.

Fire Hazard

Flash point data are not available for 1H-Benzotriazole. 1H-Benzotriazole is probably combustible.

Carcinogenicity

Chronic (2-year) feeding studies were conducted. Rats were given 0, 6700, or 12,000 ppm in feed for 78 weeks and held for an additional 26 weeks. Mice were given 0, 11,700, or 23,500 ppm in feed in 104 weeks. The authors concluded that under the conditions shown in this study, there were no convincing evidence that 1-H-benzotriazole was carcinogenic in rats or mice.

Purification Methods

1,2,3-Benzotriazole crystallises from toluene, CHCl3, Me2NCHO or a saturated aqueous solution, and is dried at room temperature or in a vacuum oven at 65o. Losses are less if the material is distilled in a vacuum. CAUTION: may EXPLODE during distillation; necessary precautions must be taken. [Damschroder & Peterson Org Synth Coll Vol III 106 1955, Beilstein 26 III/IV 93.]

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