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19503-26-5

19503-26-5 Structure

19503-26-5 Structure
IdentificationBack Directory
[Name]

1H-1,2,4-TRIAZOLE-1-CARBOXAMIDINE MONOHYDROCHLORIDE
[CAS]

19503-26-5
[Synonyms]

NOLA-010
1H-1,2,4-TRI
TIMTEC-BB SBB004089
Methotrexate (Abitrexate)
1-CARBAMIDINO-1,2,4-TRIAZOLE
1H-1,2,4-Triazole-1-CarboxaMidine
1-AMIDINO-1,2,4-TRIAZOLE HYDROCHLORIDE
1H-1,2,4-TRIAZOLE-1-CARBOXAMIDINE MONOHY
1-amidino-1h-1,2,4-triazole hydrochloride
1-Amidino-1,2,4-triazole monohydrochloride
(1H)-1,2,4-Triazole-1-carboxamidineHClpurum
1-Carbamimidoyl-1,2,4-triazole Hydrochloride
[1,2,4]Triazole-1-carboxaMidine Hydrochloride
1,2,4-Triazole-1-carboximidamide Hydrochloride
1h-1,2,4-triazole-1-carboxamidinehydrochloride
1H-1,2,4-triazole-1-carboxiMidaMide hydrochloride
1H-1,2,4-TRIAZOLE-1-CARBOXAMIDINE MONOHYDROCHLORIDE
1H-1,2,4-Triazole-1-carboxaMidine Monohydrochloride ,98%
1H-1,2,4-Triazole-1-carboximidamide, hydrochloride (1:1)
(1H)-1,2,4-Triazole-1-carboxamidinemonohydrochloridepurum
1H-1,2,4-Triazole-1-carboxamidine monohydrochloride ,98.5%
1H-1,2,4-TRIAZOLE-1-CARBOXAMIDINE MONOHY DROCHLORIDE PURUM 98+%
1H-1,2,4-Triazole-1-carboxamidine hydrochloride≥ 98%(Titration)
[EINECS(EC#)]

606-331-2
[Molecular Formula]

C3H6ClN5
[MDL Number]

MFCD03095468
[MOL File]

19503-26-5.mol
[Molecular Weight]

147.57
Chemical PropertiesBack Directory
[Melting point ]

215-220 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

9500271
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
[InChIKey]

JDDXNENZFOOLTP-UHFFFAOYSA-N
[SMILES]

C(N1N=CN=C1)(N)=N.Cl
[CAS DataBase Reference]

19503-26-5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H319-H412
[Precautionary statements ]

P264-P280i-P301+P312a-P337+P313-P501a-P280-P301+P312+P330-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-52/53-43
[Safety Statements ]

26-36/37-61
[RIDADR ]

2811
[WGK Germany ]

3
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Sulfuric acid-->Sodium chloride-->1,4-Dioxane-->Cyanamide-->1,2,4-Triazole
Hazard InformationBack Directory
[Chemical Properties]

White crystalline
[Uses]

[1,2,4]Triazole-1-carboxamidine is an intermediate used in the synthesis of peramivir (P285500), a neuraminidase inhibitor developed as an antiviral agent for the treatment of influenza.
[Synthesis]

1H-1,2,4-Triazole-1-carboxamidine hydrochloride is prepared by the reaction of dicyandiamide and 1,2,4-Triazole. The steps are as follows:
Dissolve the compound (19.7 g, 0.29 mol) in 20 ml of tetrahydrofuran, and the temperature was raised to 70℃. A solution of dicyandiamide (20 g, 0.24 mol) was added and a solution of 4 mol / L HCl in tetrahydrofuran 27 g, 0.26 mol) at 70℃ for 2 h, the temperature was removed and cooled to room temperature. The solid was removed by filtration and 26.0 g was removed by filtration. The solvent was dried in vacuo at 45℃ to give a colorless oil which was recrystallized from methanol: dichloromethane = 2: 1 Of the mixed solution 50ml recrystallization, cooling crystallization, suction filter to get 6.2g solid, drying a total of 30.1g white powder. Yield 90.3%, purity 99,8%.
1H-1,2,4-Triazole-1-carboxamidine hydrochloride synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

1H-1,2,4-Triazole-1-carboximidamide hydrochloride(19503-26-5)1HNMR
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