288-88-0 (1,2,4-Triazole)

1. Introduction

Product Name: Triazole
Chemical Name: 1,2,4-1H-Triazole (CAS NO.: 288-88-0)
CAS NO.: 288-88-0
Molecular Formula: C₂H₃N₃
Molecular Weight: 69.07
Appearance: White crystal
Melting Point: 115℃-117℃, 120℃-121℃
Purity: 95%, 99%
Usage: It is widely used for Cyproconazole, Paclobutrazol, Uniconazole, Diniconazole, fluconazole and Azocyclotin
Packing: 25kg/bag or 25kg/ barrel  PP woven bag+ Plastic liner bag
1,2,4-1H-Triazole can also be packed according to the customer requirements and packaging specifications.



2. Basic Information

1,2,4-1H-Triazole, with its CAS registry number 288-88-0, has its systematic name of 1H-1,2,4-triazole. With its molecular formula of C2H3N3 and molecular weight of 69.07, it also has its EINECS number of 206-022-9. Being a kind of white crystalline, it is easily soluble in water, slightly soluble in acetone and ethyl acetate, and insoluble in chloroform and benzene.

1,2,4-1H-Triazole (CAS NO.: 288-88-0) is widely applied in various fields. This chemical could be used as intermediates in pesticide and pharmaceutics , and also in the synthesis of bayleton, paclobutrazol, uniconazole, diniconazole and others; It could also be used in production of dye, and rubber chemicals; What's more, it is applied as the photocouductor in reproduction system. When comes to its preparation, it could be produced through the heating and reaction of semicarbazide and formic acid or formamide and hydrazine hydrate.

1). Properties

The other characteristics of 1,2,4-1H-Triazole (CAS NO.: 288-88-0) can be summarized as: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.47; (8)ACD/KOC (pH 7.4): 11.5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 ; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 16.86 cm³; (15)Molar Volume: 54.2 cm³; (16)Polarizability: 6.68×10^-24cm³; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 47.76 kJ/mol; (21)Boiling Point: 260 °C at 760 mmHg; (22)Vapour Pressure: 0.0203 mmHg at 25°C.

2). Use

1,2,4-1H-Triazole (CAS NO.: 288-88-0) could react with chloromethyl-benzene to produce 1-benzyl-1H-[1,2,4]triazole, and it happens in the condition of heating. And it needs the reagent of CsF*Celite and solvent of acetonitrile. This reaction happens with its time of 2 days, with its yield of 44%. 

3). Safety Information

When you are dealing with 1,2,4-1H-Triazole (CAS NO.: 288-88-0), you should be careful. For one thing, this chemical is irritating to eyes which may cause inflammation to the skin or other mucous membranes; For another thing, it is harmful which may cause damage to health and it is dangerous if swallowed; Besides, it is corrosive which may destroy living tissue on contact, and then it has possible risk of harm to the unborn child.

Therefore, if in case of dange, you should take some measures to protect youreself from danger. Wear suitable protective clothing, gloves and eye/face protection, and take off immediately all contaminated clothing if contact. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). 

4). Descriptors of Structure

(1)SMILES: n1cnnc1
(2)Std. InChI: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
(3)Std. InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

5). Toxicity Information