80670-36-6

Basic information

• Product Name: 3H-1,2,4-Triazole, 3-diazo-5-phenyl-
• CAS NO: 80670-36-6
• Molecular Formula: C8H5N5
• Molecular Weight: 171.161
• Mol File: 80670-36-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 3H-1,2,4-Triazole, 3-diazo-5-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3H-1,2,4-Triazole, 3-diazo-5-phenyl-(80670-36-6)
• EPA Substance Registry System: 3H-1,2,4-Triazole, 3-diazo-5-phenyl-(80670-36-6)

Safety Data

• Hazardous Substances Data: 80670-36-6(Hazardous Substances Data)

Upstream product

• 4922-98-9 3-Amino-5-phenyl-4H-1,2,4-triazole 
• 28151-85-1 5-phenyl-1,2,4-triazole-3-diazonium tetrafluoroborate 
• 4922-98-9 5-phenyl-1H-1,2,4-triazol-3-amine 
• 22250-34-6 3-Amino-5-phenyl-1,2,4-triazole 

Downstream Products

• 111005-35-7 6,7,8,9-tetrahydro-2-phenyl<1,2,4>triazolo<5,1-c><1,2,4>benzotriazine 
• 85956-51-0 4,8-Dihydro-4,4-dimethoxy-7-phenyl-1,2,4-triazolo<5,1-c><1,2,4>triazine 
• 85939-81-7 4,6-Dihydro-4,4-dimethoxy-7-phenyl-1,2,4-triazolo<5,1-c><1,2,4>triazine 
• 100-47-0 benzonitrile 
• 127-06-0 acetone oxime 
• 627-39-4 propionaldehyde oxime 
• 4156-04-1 5-(4-methoxyphenyl)-3-phenyl-1H-1,2,4-triazole 
• 65034-86-8 5-(2-Methoxy-phenyl)-3-phenyl-1H-[1,2,4]triazole 
• 201230-82-2 carbon monoxide 
• 118863-84-6 5-(m-nitrophenyl)-3-phenyl-1H-1,2,4-triazole 
• 586-96-9 Nitrosobenzene 
• 85956-35-0 4-(Diethylamino)-4,6-dihydro-β-phenyl-1,2,4-triazolo<5,1-c><1,2,4>triazine 
• 20062-40-2 2-(1H-[1,2,4]triazol-3-yl)-benzonitrile 
• 118863-78-8 4-(2H-[1,2,4]Triazol-3-yl)-benzonitrile 

Relevant articles and documents

SUBSTITUENT AND COORDINATION EFFECTS IN SINGLET REACTIONS OF 3-DIAZO-3H-1,2,4-TRIAZOLES WITH SUBSTITUTED BENZENES AND NITRO COMPOUNDS

3-Diazo-3H-1,2,4-triazoles convert to singlet 3H-1,2,4-triazol-3-ylidenes which (1) effect directed electrophilic substitutions of benzenes and (2) coordinate with benzenoid substituents and nitro compounds to give decomposition or rearrangement products.

KINETICS OF REACTIONS OF 1,2,4-TRIAZOLES-3-DIAZONIUM IONS WITH PHENOL AND WITH HYDROXYL ION

5-Methyl and 5-phenyl-1,2,4-triazole-3-diazonium ions (IIIa, IIIb) react with undissociated phenol in diluted hydrochloric acid.At pH>1 the reactions with phenolate ions become kinetically significant, their bimolecular rate constants approaching those of

Reactions with Diazoazoles. Part VI. Unequivocal Synthesis of 3-Methyl-3H-azolotetrazoles. Correction of the Formerly Described 3-Methylazolotetrazoles in Favour of Mesoionic 2-Methylazotetrazoles

3-Methyl-3H-pyrazolotetrazoles 2 and 3-methyl-6-phenyl-3H-1,2,4-triazolotetrazole (4) have been unequivocally synthesized by annelation of the tetrazole moiety to the pyrazole resp. 1,2,4-triazole system.The constitution of some N-methyl substituted azolotetrazoles, formerly described as 3-methyl-3H-pyrazolotetrazoles 2, 3-methyl-6-phenyl-3H-1,2,4-triazolotetrazole (4) and 1-methyl-6-phenyl-1H-1,2,4-triazolotetrazole (5), has to be revised in favour of the corresponding mesoionic 2-methyl derivatives 2', 4', 5'.The structures of 3-methyl-3H- as well as of 2-methyl-2H-pyrazolotetrazole derivatives 2a, 2c, 2'a have been determined by X-ray analyses.The azapentalenic system is aromatic in all three measured compounds and mesoionic in the case of the 2-methyl-2H-substitution pattern.The phenyl and ester substituents are coplanar with the azapentalene system. 3-, 2-, and 1-Methylpyrazolotetrazoles exhibit different behaviour when allowed to react wit stannous chloride or sodium ethoxide.Azolotetrazoles with a methyl substituent at N-1, N-2 or N-3 of the tetrazole moiety can be distinguished by a combination of 1H and 13C nmr with respect to the chemical shifts of the N-methyl group and the bridgehead carbon.Results of semiempirical calculations of the pyrazolotetrazole anion and of its N-methyl derivatives are discussed.