3-Nitro-1,2,4-triazole
- Product Name
- 3-Nitro-1,2,4-triazole
- CAS No.
- 24807-55-4
- Chemical Name
- 3-Nitro-1,2,4-triazole
- Synonyms
- 3-NTR;3-Nitro-1;NSC 133107;AKOS B006601;AKOS MSC-0736;3-nitrotriazole;3-Nitro-s-triazole;s-Triazole, 3-nitro-;3-Nitro-1,2,4-triazo;3-nitro-1,2,4-triazolo
- CBNumber
- CB7448098
- Molecular Formula
- C2H2N4O2
- Formula Weight
- 114.06
- MOL File
- 24807-55-4.mol
3-Nitro-1,2,4-triazole Property
- Melting point:
- 210 °C (dec.)(lit.)
- Boiling point:
- 213.51°C (rough estimate)
- Density
- 1.7897 (rough estimate)
- refractive index
- 1.4164 (estimate)
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- solubility
- Methanol
- form
- Solid
- pka
- 5.92±0.20(Predicted)
- color
- Light Yellow
- Water Solubility
- slightly soluble
- BRN
- 607167
- InChI
- InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
- InChIKey
- KUEFXPHXHHANKS-UHFFFAOYSA-N
- SMILES
- N1C([N+]([O-])=O)=NC=N1
- CAS DataBase Reference
- 24807-55-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 1H-1,2,4-triazole, 3-nitro-(24807-55-4)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-20/21/22
- Safety Statements
- 22-24/25-36-26
- WGK Germany
- 3
- F
- 9
- HazardClass
- IRRITANT
- HS Code
- 29339990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- N0477
- Product name
- 3-Nitro-1,2,4-triazole [Coupling Agent]
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 1g
- Price
- $16
- Updated
- 2025/07/31
- Product number
- N0477
- Product name
- 3-Nitro-1,2,4-triazole [Coupling Agent]
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 5g
- Price
- $34
- Updated
- 2025/07/31
- Product number
- N2683
- Product name
- 3-Nitro-1,2,4-triazole
- Packaging
- 5g
- Price
- $425
- Updated
- 2021/12/16
- Product number
- N585000
- Product name
- 3-Nitro-1,2,4-triazole
- Packaging
- 250g
- Price
- $690
- Updated
- 2021/12/16
- Product number
- P000456056
- Product name
- 3-Nitro-1H-1,2,4-triazole
- Purity
- 98%
- Packaging
- 1g
- Price
- $5
- Updated
- 2021/12/16
3-Nitro-1,2,4-triazole Chemical Properties,Usage,Production
Chemical Properties
Light Yellow Solid
Uses
3-Nitro-1,2,4-triazole is used in oligonucleotide synthesis. Also a radiosensitizer of hypoxic cells in vitro.
Synthesis
61-82-5
24807-55-4
General procedure for the synthesis of 3-nitro-1,2,4-triazole from 1H-1,2,4-triazol-5-amine: In a fume hood, 3-amino-1,2,4-triazole (26.3 g, 0.297 mol) was added to an aqueous solution of sodium nitrite (100.0 g, 1.45 mol, dissolved in 150 ml of water) fitted with an overhead mechanical stirrer and a 100 ml homogeneous pressure dosing funnel in a 2.0 liter three-necked round-bottomed flask. The suspension was cooled in an ice water bath and the mechanical stirrer was activated. After stirring for 10 minutes, concentrated nitric acid (85 ml) was slowly added dropwise through the dosing funnel for a controlled period of 2.5-3.0 hours (note the foaming phenomenon). After the dropwise addition was completed, the ice water bath was removed and the yellow suspension was continued to be stirred at room temperature for 1 hr until the foaming stopped. The crude product was collected by filtration and the yellow solid cake was dried overnight under vacuum with an oil pump to give 47 g of product. The crude product was dissolved in boiling methanol (300 ml) for 30 min, followed by room vacuum filtration. The filtrate was cooled to room temperature and placed in a refrigerator at -15°C overnight to crystallize 3-nitro-1,2,4-triazole as a light yellow solid. The crystallized product was washed with cold methanol and dried overnight at a pressure of 1.9 mmHg to give 21-23 g (62%-68% yield) of 3-nitro-1,2,4-triazole with a melting point of 208°C-211°C (literature values 208°C-210°C). The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 8.86 (s, 1H); 13C NMR (75 MHz, DMSO-d6): δ 163.1,146.3; IR (solid): 3162,2861,2776,2730 cm-1. The purity of the product was determined to be 97% by RP-HPLC with retention time tR=2.01 min (detection wavelength 254 nm).
References
[1] Organic Process Research and Development, 2014, vol. 18, # 7, p. 886 - 890
[2] Tetrahedron, 1980, vol. 36, # 20-21, p. 3075 - 3085
[3] Organic Preparations and Procedures International, 2014, vol. 46, # 3, p. 267 - 271
[4] Russian Journal of Organic Chemistry, 2014, vol. 50, # 5, p. 742 - 746
[5] Zh. Org. Khim., 2014, vol. 50, # 5, p. 752 - 756,5
3-Nitro-1,2,4-triazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Nitro-1,2,4-triazole manufacturers
- Product
- 3-Nitro-1,2,4-triazole 24807-55-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-04
- Product
- 3-Nitro-1,2,4-triazole 24807-55-4
- Price
- US $70.00-700.00/kg
- Min. Order
- 10kg
- Purity
- 0.99
- Supply Ability
- 20tons
- Release date
- 2023-11-08
- Product
- 3-Nitro-1,2,4-triazole 24807-55-4
- Price
- US $60.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1000tons
- Release date
- 2023-08-29