3-Cyano-1,2,4-triazole
- Product Name
- 3-Cyano-1,2,4-triazole
- CAS No.
- 3641-10-9
- Chemical Name
- 3-Cyano-1,2,4-triazole
- Synonyms
- 3-Cyano-1;3-CYANO-1,2,4-TRIAZOLE;s-Triazole-3-carbonitrile;1H-1,2,4-triazole-5-carbonitrile;2H-1,2,4-triazole-3-carbonitrile;1H-[1,2,4]-TRIAZOLE-3-CARBONITRILE;1,2-diaza-4-azanidacyclopenta-2,5-diene-3-carbonitrile
- CBNumber
- CB6344463
- Molecular Formula
- C3H2N4
- Formula Weight
- 94.07
- MOL File
- 3641-10-9.mol
3-Cyano-1,2,4-triazole Property
- Melting point:
- 185-187°C
- Boiling point:
- 300.0±25.0 °C(Predicted)
- Density
- 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 6.82±0.20(Predicted)
- form
- Solid
- color
- Off-White to Beige
- InChI
- InChI=1S/C3H2N4/c4-1-3-5-2-6-7-3/h2H,(H,5,6,7)
- InChIKey
- GUQHFZFTGHNVDG-UHFFFAOYSA-N
- SMILES
- N1C(C#N)=NC=N1
- CAS DataBase Reference
- 3641-10-9(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 20/21/22-36/37/38-22
- Safety Statements
- 26-36/37/39
- RIDADR
- 3276
- Hazard Note
- Harmful
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- C982185
- Product name
- 3-Cyano-1,2,4-triazole
- Packaging
- 5g
- Price
- $150
- Updated
- 2021/12/16
- Product number
- C982323
- Product name
- 3-Cyano-1,2,4-triazole
- Packaging
- 25g
- Price
- $175
- Updated
- 2021/12/16
- Product number
- C982185
- Product name
- 3-Cyano-1,2,4-triazole
- Packaging
- 10g
- Price
- $275
- Updated
- 2021/12/16
- Product number
- 007217
- Product name
- 3-Cyano-1,2,4-triazole
- Packaging
- 5g
- Price
- $460
- Updated
- 2021/12/16
- Product number
- 3H37-1-Z3
- Product name
- 3-Cyano-1,2,4-triazole
- Packaging
- 100g
- Price
- $288
- Updated
- 2021/12/16
3-Cyano-1,2,4-triazole Chemical Properties,Usage,Production
Uses
A cyano substituted triazole with inhibitory effects on cathepsin K used in a study of the electrophilicity and reactivity of diverse nitrile-containing compounds and its correlation to the mechanism-of-action.
Uses
A cyano substituted triazole with inhibitory effects on cathepsin K, 3-cyano-1,2,4-triazole can be used in a study of the electrophilicity and reactivity of diverse nitrile-containing compounds and its correlation to the mechanism-of-action.
Synthesis
54606-55-2
122-51-0
3641-10-9
3-Cyano-1,2,4-triazole (3-CNT) was prepared based on the method described in U.S. Patent No. 4,522,587. The procedure was as follows: in a 250 ml three-necked flask equipped with a mechanical stirrer, a temperature probe, a cooling bath and a nitrogen protection device, 15.0 g (0.178 mol) of cyanoimidic acid hydrazide and 80.2 g (0.541 mol) of triethyl orthoformate were added. After cooling the reaction mixture to 0-5 °C, 4 g of dioxane solution pre-saturated with HCl gas was added at once. The reaction temperature was maintained at 0-5°C with stirring for 5 h. The reaction was then slowly warmed to room temperature and stirring continued until the residue of cyanoimidic acid hydrazide was less than 0.5 area % (reaction complete) as detected by HPLC. Upon completion of the reaction, the excess triethyl orthoformate was removed by distillation under reduced pressure to give the crude 3-CNT (12.3 g, HPLC purity 76 area%). The crude was suspended in a solvent mixture of 248 g of toluene and 202 g of ethyl acetate, heated to 75-80 °C and filtered to remove insoluble matter. The filtrate was concentrated under reduced pressure to obtain a slurry, after filtration, the filter cake was washed with 10 ml of toluene and dried to finally obtain 10.1 g of 3-CNT as a pale yellow solid (yield 60.2%, HPLC purity 98.7 area%).
References
[1] Patent: US2009/292122, 2009, A1. Location in patent: Page/Page column 11
3-Cyano-1,2,4-triazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Cyano-1,2,4-triazole manufacturers
- Product
- 3-Cyano-1,2,4-triazole 3641-10-9
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-25
- Product
- 3-Cyano-1,2,4-triazole 3641-10-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20t
- Release date
- 2024-07-15
- Product
- 3-Cyano-1,2,4-triazole 3641-10-9
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- kgs
- Release date
- 2023-02-17