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1H-1,2,4-Triazolium, 4-amino-1-[(4-nitrophenyl)methyl]-, bromide is a complex organic compound with the chemical formula C8H9BrN4O2. It is a derivative of 1,2,4-triazole, a five-membered heterocyclic ring containing three nitrogen atoms. The compound features an amino group at the 4-position, a 4-nitrophenylmethyl group attached to the 1-position, and a bromide ion as a counterion. This chemical is characterized by its yellow crystalline appearance and is soluble in water. It is primarily used in the synthesis of various pharmaceuticals and agrochemicals due to its unique chemical structure and reactivity. The compound's properties, such as its stability and solubility, make it a valuable intermediate in the development of new drugs and chemical compounds.

6085-99-0

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6085-99-0 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

The compound is derived from a 1H-1,2,4-triazole ring, which is a five-membered ring containing three nitrogen atoms and two carbon atoms.

Explanation

The compound contains an amino group (-NH2), a nitrophenylmethyl group (a phenyl ring with a nitro group attached to a methyl group), and a bromide atom (Br-).

Explanation

As a triazolium salt, the compound carries a positive charge due to the presence of the triazolium cation.

Explanation

The compound is likely to be soluble in polar solvents such as water and methanol due to the presence of polar functional groups and the bromide counterion.

Explanation

The compound is expected to be stable under normal laboratory conditions, as it does not contain any highly reactive functional groups.

Explanation

The compound can be used as a building block or intermediate in the synthesis of more complex organic molecules, particularly in the fields of medicinal chemistry and pharmaceuticals.

Explanation

Due to its unique structure and functional groups, the compound may have potential applications in the development of new drugs or agrochemicals.

Explanation

The compound's properties and potential applications make it a valuable subject for further research and development by researchers and industries working in the fields of organic synthesis, medicinal chemistry, pharmaceuticals, and agrochemicals.

Structure

1H-1,2,4-Triazolium salt derivative

Functional Groups

Amino, Nitrophenylmethyl, Bromide

Charge

Cationic

Solubility

Soluble in polar solvents

Stability

Stable under normal conditions

Applications

Organic synthesis, medicinal chemistry

Potential Uses

Pharmaceuticals, agrochemicals

Research Interest

Subject of interest for researchers and industries

Check Digit Verification of cas no

The CAS Registry Mumber 6085-99-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,8 and 5 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 6085-99:
(6*6)+(5*0)+(4*8)+(3*5)+(2*9)+(1*9)=110
110 % 10 = 0
So 6085-99-0 is a valid CAS Registry Number.

6085-99-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-amino-1-(4-nitrobenzyl)-1,2,4-triazolium bromide

1.2 Other means of identification

Product number -
Other names 4-Amino-1-(4-nitrobenzyl)-4H-1,2,4-triazolium bromide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6085-99-0 SDS

6085-99-0Relevant academic research and scientific papers

Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent

-

, (2008/06/13)

A process for preparing tryptamine derivatives and related compounds having a 1,2,4-triazol-1-yl moiety within the molecule comprises reacting 4-amino-1,2,4-triazol with a nitrobenzene derivative containing a readily displaceable group; deaminating the aminotriazolium salt thereby obtained by treatment with nitrous acid followed by neutralisation; reducing the triazolyl-nitrobenzene derivative thereby obtained by transfer hydrogenation; treating the triazolyl-aniline derivative thereby obtained with nitrous acid and then with an alkali metal sulphate, followed by acidification; and subsequently reacting the triazolyl-hydrazine derivative thereby obtained in situ with a suitable carbonyl compound, to obtain the required triazolyl-indole derivative.

Sulphate salt of a substituted triazole, pharmaceutical compositions thereof, and their use in therapy

-

, (2008/06/13)

The sulphate salt of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine is a selective agonist of 5-HT 1 -like receptors and is therefore useful in the treatment of clinical conditions, in particular migraine and associated disorders, for which a selective agonist of these receptors is indicated.

Synthesis and antimycotic activity of new (1H-1,2,4-triazol-1-ylmethyl)benzeneamine derivatives

Scalzo,Biava,Cerreto,Porretta,Mercantini,Fanelli

, p. 537 - 540 (2007/10/02)

The synthesis and antimycotic activity of new triazole derivatives are reported. Microbiological assays show a good effectiveness against Aspergillus flavus, A. parassiticus and Fusarium solani. The same structures are completely inactive against Microsporium gypseum, Penicillum sp. and Candida albicans.

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