1,2,3-benzotriazole
1H-Benzotriazole
CAS: 95-14-7
Molecular Formula: C6H5N3
1,2,3-benzotriazole - Names and Identifiers
| Name | 1H-Benzotriazole |
| Synonyms | BTA T406 benzotriazole Benzotraizole 1H-Benzotriazole 1,2,3-Benztriazole 1,2,3-Triazaindene benzotriazole (BTA) 1,2,3-Benzotrialole 1,2,3-benzotriazole 1,2,3-benzo triazole 1,2,3-Triaza-1H-indene T406 petroleum additive 1,2,3-benzotriazole (BTA) BenzotrichlorideForSynthesis 1,2,3-benzotriazole-1h-benzotriazole 1,2,3-Benzotriazole,1H-benzo[d][1,2,3]triazole |
| CAS | 95-14-7 |
| EINECS | 202-394-1 |
| InChI | InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) |
| InChIKey | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
1,2,3-benzotriazole - Physico-chemical Properties
| Molecular Formula | C6H5N3 |
| Molar Mass | 119.12 |
| Density | 1,36 g/cm3 |
| Melting Point | 97-99°C(lit.) |
| Boling Point | 204 °C (15 mmHg) |
| Flash Point | 170 °C |
| Water Solubility | 25 g/l in water (20 ºC) |
| Solubility | Soluble in ethanol, benzene, toluene, chloroform and dimethylformamide, slightly soluble in cold water. Insoluble in petroleum solvent |
| Vapor Presure | 0.04 mm Hg ( 20 °C) |
| Vapor Density | 4.1 (vs air) |
| Appearance | White to yellowish brown crystals or white powder |
| Color | White to yellow-beige |
| Odor | Slight characteristic odor |
| Merck | 14,1108 |
| BRN | 112133 |
| pKa | 1.6(at 20℃) |
| PH | 6.0-7.0 (100g/l, H2O, 20℃)suspension |
| Storage Condition | Store below +30°C. |
| Stability | Stable, but may be light sensitive. Incompatible with strong oxidizing agents, heavy metals. |
| Sensitive | Sensitive to light |
| Explosive Limit | 2% |
| Refractive Index | 1.5589 (estimate) |
| MDL | MFCD00005699 |
| Physical and Chemical Properties | Character pure white needle-like crystals solubility slightly soluble in water, soluble in alcohol, benzene, toluene, chloroform and other organic solvents. |
| Use | Used in anti-rust oil (Grease) products, mostly used in copper and copper alloy vapor phase corrosion inhibitor circulating water treatment agent, automobile antifreeze, photographic antifogging agent, polymer stabilizer, plant growth regulator, lubricating oil additive, ultraviolet absorber, etc. This product can also be used in combination with a variety of scale inhibitors and biocide. |
1,2,3-benzotriazole - Risk and Safety
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R36 - Irritating to the eyes R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R5 - Heating may cause an explosion R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - |
| UN IDs | 2811 |
| WGK Germany | 1 |
| RTECS | DM1225000 |
| TSCA | Yes |
| HS Code | 29339990 |
| Hazard Note | Harmful/Irritant |
| Toxicity | LD50 orally in Rabbit: 560 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
1,2,3-benzotriazole - Reference
| Reference Show more | 1. Tooth Liu Ding, Wang Wenlong, Hu Hongying, Wu Qianyuan, Wu Yi Hu, Chen Zhuo. Effect and mechanism of ozone oxidation of different kinds of PPCPs in secondary effluent of municipal wastewater treatment [J]. Journal of Environmental Sciences, 2020,40(11):3868-3876. |
1,2,3-benzotriazole - Nature
Open Data Verified Data
white to light brown needle-like crystalline powder. In the air due to oxidation gradually turn red. Soluble in methanol, acetone, cyclohexane, ether, difficult to dissolve in water and petroleum solvents. The aqueous solution is weakly acidic, and the pH value is 5.5~6.5. Flammable in case of open flame and high heat. By high heat decomposition, release of toxic smoke.
Last Update：2024-01-02 23:10:35
1,2,3-benzotriazole - Preparation Method
Open Data Verified Data
O-phenylenediamine diazotization method. O-phenylenediamine diazotization, then in acetic acid ring synthesis of crude benzotriazole, recrystallization refining, vacuum drying, can be prepared by pure benzotriazole.
Last Update：2022-01-01 09:30:09
1,2,3-benzotriazole - Introduction
Can be processed into flakes, granules, powder. Oxidized in the air and gradually turned red. This product tastes bitter and odorless. An explosion can occur during distillation in a vacuum. Soluble in ethanol, benzene, toluene, chloroform and N,N-dimethylformamide, slightly soluble in water. The minimum lethal dose (rat, oral) is 500mg/kg. It's irritating.
Last Update：2022-10-16 17:30:18
1,2,3-benzotriazole - Use
Open Data Verified Data
benzotriazole on copper, aluminum, cast iron, nickel, zinc and other metal materials have anti-corrosion effect. Can be combined with a variety of corrosion inhibitors, such as with chromate, polymeric phosphate, molybdate, silicate, nitrite, ATMP, HEDP, EDTMP, etc., can improve the corrosion inhibition effect. The corrosion inhibition effect is very good in the closed circulating cooling water system. Can be used with a variety of scale inhibitors, bactericidal algaecide, benzotriazole on the corrosion inhibition of polyphosphate does not interfere, the oxidation resistance is very strong. However, when it exists together with free chlorine, the corrosion inhibition of copper is lost, and after the disappearance of chlorine, the corrosion inhibition is restored. Its concentration is generally 1-2mg/L, and the corrosion inhibition is very good in the range of pH 5.5~10, but the corrosion inhibition is reduced in the medium with low pH value.
Last Update：2022-01-01 09:30:09
1,2,3-benzotriazole - Safety
Open Data Verified Data
It has a strong irritating effect on the eyes, and has a moderate degree of irritation to the skin. The staff should be protected, and the production workshop should be well ventilated. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Keep the container sealed. Protected from light. It should be stored separately from oxidant and edible chemical raw materials.
Last Update：2022-01-01 09:30:10
1,2,3-benzotriazole - Reference Information
Open Data Unverified Data
| LogP | 1.34 at 22.7℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | benzotriazole is mainly used as water treatment agent, metal rust inhibitor and corrosion inhibitor. Benzotriazole is one of the most effective corrosion inhibitors for copper and copper alloys in cooling water systems. Widely used in circulating water treatment agent, anti-rust oil, lipid products, but also used in copper and copper alloy vapor phase corrosion inhibitor, lubricant additives. In electroplating for surface purification of silver, copper, zinc, anti-discoloration. used in lubricating grease such as extreme pressure industrial gear oil, hyperbolic gear oil, anti-wear hydraulic oil, oil film bearing oil, grease, etc., and can be used as rust prevention and vapor phase corrosion inhibitor used in anti-rust oil (Grease) products, it is used for vapor phase corrosion inhibitor circulating water treatment agent of copper and copper alloy, automobile antifreeze, photographic antifogging agent, polymer stabilizer, plant growth regulator, lubricating oil additive, ultraviolet absorber, etc. This product can also be used in combination with a variety of scale inhibitors and biocide. It is widely used for corrosion inhibition and rust prevention of copper and silver equipment. It can also be used for the preparation of photographic anti-ash, anti-fogging agent and gas phase anti-rust agent. In electroplating for surface purification of silver, copper, zinc, anti-discoloration effect. Benzotriazole (BTA) and copper atoms to form covalent bonds and coordination bonds, mutual multi-substituted into a chain-like polymer, in the copper plus surface to form a multi-layer protective film, so that the surface of the copper from the redox reaction, hydrogen does not occur, which plays an anti-corrosion role. For lead, cast iron, nickel, zinc and other metal materials also have the same effect. BTA can be combined with a variety of corrosion inhibitors to improve the corrosion inhibition effect. It can also be used in combination with a variety of scale inhibitors and biocide, In particular, the corrosion inhibition effect on the closed circulating cooling water system is very good. In the automotive antifreeze ethylene glycol and water, the addition of BTA in the coating can volatilize the protective material. BTA is a good UV absorber, UV sensitive products can play a role in the stability, such as prevention of diazo dye fading, with BTA treatment of paper, woven fabric, film, A thin sheet product such as a metal coin can be prevented from discoloration. In the machining process, the BTA is added to the grinding oil and cutting oil, which can make the processed copper parts do not change color. The product can also be used as an analytical reagent, combined with ammonia and diamine tetraacetic acid, can be used for selective determination of silver, copper and zinc. It can also be used as a photographic anti-fog agent and an intermediate in organic synthesis. used as analytical reagents and photographic antifogging agents, also used in organic synthesis lubricating oil additives; Metal deactivators; Extreme pressure agents, bacteria and oxidation inhibitors, used as antioxidant in internal combustion engine oil |
| production method | is derived from the reaction of O-phenylenediamine with sodium nitrite. O-phenylenediamine was dissolved in water at 50 ° C., and then glacial acetic acid was added to cool to 5 ° C., and sodium nitrite was added to stir the reaction. The reactant gradually turned dark green, the temperature rose to 70-80 ° C, the solution turned orange red, left at room temperature for 2H, cooled, filtered out the crystal, washed with ice water, dried to obtain crude product, the crude product was distilled under reduced pressure, the fraction at 201-204 °c (2.0kPa) was collected and recrystallized from benzene to obtain a product with a melting point of 96-97 °c in a yield of about 80%. It has been reported that sodium nitrite is used to treat condensation wastewater of carbendazim to obtain by-product benzotriazole. A certain amount of water was added to the reaction vessel and heated to 50 °c. Then, 1 mol of O-Phenylenediamine and 2.01 mol of glacial acetic acid were added, dissolved with stirring and cooled to 0 ° C., and 1 mol of sodium nitrite was added dropwise. After completion, the temperature was gradually increased to 73 ° C. For 2H. Left standing overnight. The filter cake was filtered, washed twice with water, dried, crushed and sieved to obtain a finished product. |
| category | pesticide |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 600 mg/kg; Oral-mouse LD50: 615 mg/kg |
| explosive hazard characteristics | explosive at 220 ℃; Explosive in vacuum distillation |
| flammability hazard characteristics | flammability; Toxic NOx smoke from combustion |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
| spontaneous combustion temperature | 400°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:43:38
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