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Cas Database

4928-87-4

4928-87-4

Identification

Synonyms:1,2,4-Triazole-3-carboxylic acid;4H-1,2,4-Triazole-3-carboxylic acid;NSC165527;NSC 202574;

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Safety information and MSDS view more

  • Pictogram(s):IrritantXi

  • Hazard Codes:Xi

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
  • Product Description:1,2,4-Triazole-3-carboxylic acid
  • Packaging:10g
  • Price:$ 1070
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:1H-1,2,4-Triazole-5-carboxylic acid 95%
  • Packaging:1 g
  • Price:$ 16
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:1H-1,2,4-Triazole-5-carboxylic acid 95%
  • Packaging:5 g
  • Price:$ 44
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:1H-1,2,4-Triazole-5-carboxylic acid 95%
  • Packaging:25 g
  • Price:$ 180
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1,2,4-Triazole-3-carboxylic acid 97%
  • Packaging:10g
  • Price:$ 181
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1,2,4-Triazole-3-carboxylic acid 97%
  • Packaging:1g
  • Price:$ 65.3
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  • Manufacture/Brand:Oakwood
  • Product Description:1H-[1,2,4]Triazole-3-carboxylicacid
  • Packaging:100mg
  • Price:$ 9
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  • Manufacture/Brand:Oakwood
  • Product Description:1H-[1,2,4]Triazole-3-carboxylicacid
  • Packaging:1g
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  • Manufacture/Brand:Oakwood
  • Product Description:1H-[1,2,4]Triazole-3-carboxylicacid
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  • Manufacture/Brand:Medical Isotopes, Inc.
  • Product Description:1,2,4-Triazole-3-carboxylic acid
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Relevant articles and documentsAll total 9 Articles be found

Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties

Yan, Juan-zhi,Lu, Li-ping,Zhu, Miao-li,Feng, Si-si

, p. 351 - 359 (2018)

Four manganese (II) compounds are obtained by the reaction of manganese salts, triazole-derivatives and auxiliary reagents in aqueous solution or mix-solvents by routine or hydrothermal reactions. X-ray crystal structure analyses reveal that a neutral 0D compound [Mn(Hmctrz)2(H2O)2] (1) (H2mctrz = 1H-1,2,4-triazole-3-carboxylic acid) displays a centro-symmetric mononuclear octahedral entity with two Hmctrz? anions and two water molecules; two neutral 2D clusters [Mn(Hdctrz)(H2O)2]n (2) (H3dctrz = 1H-1,2,4-triazole-3,5-dicarboxylic acid) and [Mn2(pbtrz)(btca)]n·4nH2O (3) (pbtrz = 1,3-bis(1,2,4-triazol-1-yl)-propane&H4btca = benzene-1,2,4,5-tetracarboxylic acid) possess layer structures with Hdctrz2? linkers (2) and Mn(II)-pbtrz-Mn(II) building blocks periodically extended by μ-btca4? connectors (3); [Mn(pbtrz)]n·nOAc·nOH (4) shows a 3D diamond-shaped cationic framework with the anion void volume of 49.2%. Nitrogenous bases are used as the auxiliary ligand in compound 3 and the temple ligand in compounds 1, 2, and 4. Compounds 1–4 show antiferromagnetic coupling that has been fitted by different models with the molecular field approximate with D = ? 0.129(1) cm?1 for 1, J = ? 0.354(4) cm?1 for 2 and J = ? 0.696(6) cm?1 for 3, respectively. The magnetic differences can be related to different superexchange interactions transmitted by the crystal lattice and/or the zero field splitting (ZFS) of the 6A1g single-ion states of 1 and the syn-anti-COO? of 2 as well as the mixed magnetic bridges of μ1-O and μ-pbtrz-μ-COO? of 3.

Triazoles as T2-Exchange Magnetic Resonance Imaging Contrast Agents for the Detection of Nitrilase Activity

Zhang, Jia,Han, Zheng,Lu, Jiaqi,Li, Yuguo,Liao, Xuhe,van Zijl, Peter C.,Yang, Xing,Liu, Guanshu

, p. 15013 - 15018 (2018)

We characterized the T2-exchange (T2ex) magnetic resonance imaging (MRI) contrast of azole protons that have large chemical shifts from the water proton resonance as a function of pH, temperature, and chemical modification. Our results showed that 1,2,4-triazoles could be tuned into excellent diamagnetic T2ex contrast agents, with an optimal exchange-based relaxivity r2ex of 0.10 s?1 mm?1 at physiological pH and B0=9.4 T. A fit of r2ex data to the Swift–Connick equation indicated that imino proton exchange of triazoles is dominated by a base-catalyzed process at higher pH values and an acid-catalyzed process at lower pH. The magnitude of r2ex was also found to be heavily dependent on chemical modifications, that is, enhanced by electron-donating groups, such as amines and methyls, or by intramolecular hydrogen bonding between the imino proton and the carboxyl, and weakened by electron-withdrawing groups like bromo, cyano, and nitro. In light of these findings, we applied T2ex MRI to assess the activity of nitrilase, an enzyme catalyzing the hydrolysis of 1,2,4-triazole-3-carbonitrile to 1,2,4-triazole-3-carboxylic acid, resulting in the enhancement of R2ex. Our findings suggest that 1,2,4-triazoles have potential to provide sensitive and tunable diagnostic probes for MRI.

Preparation method of 1-methyl-1H-1,2,4-triazole-3-methyl formate

-

Paragraph 0021-0036, (2021/09/01)

The invention discloses a preparation method of 1-methyl-1H-1,2,4-triazole-3-methyl formate, belonging to the technical field of organic synthesis. The method comprises the following steps: with aminoguanidine bicarbonate and oxalic acid as raw materials, adding inorganic strong base for cyclization to obtain 3-aminotriazole-5-carboxylic acid; then subjecting 3-aminotriazole-5-carboxylic acid to reacting with sodium nitrite under an acidic condition to obtain diazonium salt; then subjecting diazonium salt to reacting with hypophosphorous acid to obtain 1,2,4-triazole-3-carboxylic acid; and then subjecting 1,2,4-triazole-3-carboxylic acid to reacting with a methylation reagent to obtain 1-methyl-1H-1,2,4-triazole-3-methyl formate. The method is simple to operate, raw materials are easy to obtain, and economic applicability of the method is high.

Synthesis method of 1, 2, 4-triazole-3-formic acid

-

Paragraph 0030; 0032; 0034; 0036; 0038; 0040; 0042; 0044, (2020/08/09)

The invention provides a synthesis method of 1, 2, 4-triazole-3-formic acid, which comprises the following steps: reacting oxalylhydrazine and a formamidine salt in an organic solvent to obtain 1, 2,4-triazole-3-formyl-(N-phenyl) amine; then heating and hydrolyzing in an alkaline solution in the presence of a catalyst, and adjusting the pH value by using an acid to obtain 1, 2, 4-triazole-3-formic acid; the method has the advantages of accessible raw materials, mild reaction conditions, simple post-treatment and higher yield, avoids the explosion risk and environment-polluting stink substances in the traditional technique, obviously reduces the three wastes, and has industrialization prospects.

Chemoenzymatic method of 1,2,4-triazole nucleoside synthesis: Possibilities and limitations

Konstantinova,Chudinov,Fateev,Matveev,Zhurilo,Shvets,Miroshnikov

, p. 53 - 71 (2013/04/10)

Possibilities and limitations of chemoenzymatic synthesis of novel structural analogues of an antiviral preparation of Ribavirin (1-β-D-ribofuranosyl-1,2,4-triazole-3-carboxamide) were established. A synthesis of various amides of 1H-1,2,4-triazole-3-carboxylic acid and its 5-substituted analogues - potential substrates of purine nucleoside phosphorylase - has been described. Comparative efficiency of preparation methods of these amides, as well as the methods of introduction of functional groups to the C5 position of heterocyclic system, were investigated. Novel analogues of Ribavirin containing various substitutes in the carboxamide group were synthesized. A biotechnological method was developed for the preparation of 1-β-D-ribofuranozyl-1,2,4-triazole-3-carbonitryl, an intermediate in the synthesis of Viramidine, the modern analogue of Ribavirin.

Process route upstream and downstream products

Process route

5-amino-1H-[1,2,4]triazole-3-carboxylic acid
3641-13-2

5-amino-1H-[1,2,4]triazole-3-carboxylic acid

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hypophosphorous acid; sodium nitrite; In isopropylalcohol; water; at 5 - 50 ℃; for 1.41667h;
95.6%
With hydrogenchloride; hypophosphorous acid; sodium nitrite; In isopropylalcohol; water; at 5 - 50 ℃; for 1.41667h;
89.4%
5-amino-1H-[1,2,4]triazole-3-carboxylic acid; With sulfuric acid; sodium nitrite; In water; acetonitrile; at -2 - 2 ℃; for 2h; Inert atmosphere;
With sodium hypophosphite; In ethanol; at 25 - 35 ℃; for 8h; Reagent/catalyst; Inert atmosphere;
81.2%
5-amino-1H-[1,2,4]triazole-3-carboxylic acid; With sodium nitrite;
With methanol;
65%
5-amino-1H-[1,2,4]triazole-3-carboxylic acid; With hydrogenchloride; sodium nitrite;
In methanol; Heating;
45%
1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With alkaline permanganate;
1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With alkaline permanganate;
[1,2,4]triazolo[4,3-a]pyridine
274-80-6

[1,2,4]triazolo[4,3-a]pyridine

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With potassium permanganate;
4-phenyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
387362-37-0

4-phenyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;
4-(4-methoxyphenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
1260230-04-3

4-(4-methoxyphenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;
4-(4-bromophenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
1260230-06-5

4-(4-bromophenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;
4-cyclohexyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
1260230-07-6

4-cyclohexyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;
4-butyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
1260230-09-8

4-butyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;
4-ethyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide
1260230-10-1

4-ethyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

1,2,4-triazole-3-carboxylic acid
4928-87-4

1,2,4-triazole-3-carboxylic acid

Conditions
Conditions Yield
With hydrogenchloride; water; for 5h; Reflux;

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  • Shanghai Upbio Tech Co.,Ltd
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