| Identification | More | [Name]
1,2,3-1H-Triazole | [CAS]
288-36-8 | [Synonyms]
1,2,3-1H-TRIAZOLE
1,2,3-TRIAZOLE
1H-1,2,3-TRIAZOLE
LABOTEST-BB LT02056574
TRIAZOLE(1,2,3-)
1,2,3-Triazol
1H-1,2,3-Triazol
Osotriazole
Triazacyclopentadiene
V-triazole
RIBAVIRIN USP24
1h-1,2,3-Trizole
1H-1,2,3-Triazole,98%
vic-triazole
2H-1,2,3-Triazole
2H-Triazole | [EINECS(EC#)]
206-022-9 | [Molecular Formula]
C2H3N3 | [MDL Number]
MFCD00014490 | [Molecular Weight]
69.07 | [MOL File]
288-36-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Melting point ]
23-25 °C(lit.)
| [Boiling point ]
203 °C752 mm Hg(lit.)
| [density ]
1.192 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.498(lit.)
| [Fp ]
225 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Acetone, Chloroform, Methanol (Slightly) | [form ]
Liquid | [pka]
1.17(at 20℃) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.192 | [Water Solubility ]
soluble | [FreezingPoint ]
21.0 to 24.0 ℃ | [Detection Methods]
GC,NMR | [BRN ]
104766 | [InChI]
1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5) | [InChIKey]
QWENRTYMTSOGBR-UHFFFAOYSA-N | [SMILES]
c1c[nH]nn1 | [CAS DataBase Reference]
288-36-8(CAS DataBase Reference) | [NIST Chemistry Reference]
1H-1,2,3-Triazole(288-36-8) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R63:Possible risk of harm to the unborn child.
R36:Irritating to the eyes.
R22:Harmful if swallowed. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HS Code ]
29339900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2,3-Triazole-4-carboxylic acid-->1,2,3-Triazole-4,5-dicarboxylic acid-->N,N-Diisopropylethylamine | [Preparation Products]
3H-Azirine-->3-(1H-1,2,4-Triazol-1-yl)propanoic acid-->5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid-->2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid-->FLUCONAZOLE IMPURITY C-->4,5-Dibromo-1H-1,2,3-triazole-->1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-1,2,3-triazol-1-yl)ethyl]- |
| Questions And Answer | Back Directory | [Description]
1,2,3-1H-Triazole is a kind of azole compound. It can effectively promote the proton conduction in polymer electrolyte membranes via an intermolecular proton-transfer mechanism. It is also a useful triazole for proteomics research1. It also find use in research as a bioisostere in medicinal chemistry as well as an building block for more complex chemical compounds, including pharmaceutical drugs such as mubritinib and tazobactam2. It is a main class of hetero-cycles because of its extensive range of biological properties such as antimicrobial, anticancer, anti-tubercular, anti-HIV, antimalarial, antibacterial, antifungal, antiviral and anti-diabetic property3.
|
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Uses]
A basic 5-membered aromatic heterocycle used as a building block for more complex pharmaceutical compounds. There have been recent studies that showed antitumor, antiinflammatory, analgesic, antifunga
l, antibacterial and antiviral activities in bioactive triazoles. | [Definition]
ChEBI: 1H-1,2,3-triazole is a 1,2,3-triazole. It is a tautomer of a 2H-1,2,3-triazole and a 4H-1,2,3-triazole. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 62, p. 9177, 1997 DOI: 10.1021/jo971313o | [General Description]
2H-1,2,3-triazole is tautomeric form of 1H-1,2,3-triazole. 1H-1,2,3-triazole effectively promotes the proton conduction in polymer electrolyte membranes via an intermolecular proton-transfer mechanism. | [Synthesis]
General procedure for the synthesis of 1,2,3-triazole from 1H-1,2,3-triazole-4,5-dicarboxylic acid: to a 2000 mL four-neck flask was added 1250 mL of pure water and 157.08 g (1.0 mol) of 1H-1,2,3-triazole-4,5-dicarboxylic acid, followed by the addition of 4.71 g (equivalent to 1H-1,2,3-triazole-4,5-dicarboxylic acid 3% by mass) of N,N-diisopropylethylamine. The reaction mixture was heated to 100~110°C under atmospheric pressure and refluxed until the reaction solution was clarified. Refluxing was continued for 1 h. The reaction was monitored by HPLC and terminated when the residue of 1H-1,2,3-triazole-4,5-dicarboxylic acid was less than 1%. After completion of the reaction, filtration was performed. A vacuum pump was used to remove most of the water from the filtrate, which was then replaced with a mechanical pump for high vacuum dehydration. The four-necked flask was mounted on a distillation apparatus and vacuum distillation was carried out, resulting in 66.48 g of 1H-1,2,3-triazole with a molar yield of 96.25% and a GC purity of 99.56%. | [References]
[1] Patent: CN106946803, 2017, A. Location in patent: Paragraph 0035; 0040; 0041; 0045; 0046; 0050; 0051
[2] Patent: CN105330607, 2016, A. Location in patent: Paragraph 0033; 0034
[3] Chemische Berichte, 1893, vol. 26, p. 2737 |
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