4-(1H-1,2,4-Triazol-1-yl)benzoic Acid

Base Information

Chemical Name:4-(1H-1,2,4-Triazol-1-yl)benzoic Acid
CAS No.:162848-16-0
Molecular Formula:C9H7N3O2
Molecular Weight:189.173
Hs Code.:2933990090
European Community (EC) Number:630-306-5
DSSTox Substance ID:DTXSID10353059
Nikkaji Number:J3.113.609A
Wikidata:Q82130508
Mol file:162848-16-0.mol

Synonyms:4-(1H-1,2,4-Triazol-1-yl)benzoic Acid;162848-16-0;4-[1,2,4]Triazol-1-yl-benzoic acid;4-(1,2,4-triazol-1-yl)benzoic acid;Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-;MFCD02682060;SDCCGMLS-0066011.P001;Benzoic acid,4-(1H-1,2,4-triazol-1-yl)-;YSWG080;SCHEMBL327641;DTXSID10353059;FOMQQGKCPYKKHQ-UHFFFAOYSA-N;BDBM105191;HMS1781N05;4-(1,2,4triazol-1-yl)benzoic acid;AKOS000260613;4-[1,2,4]Triazol-1-yl-benzoicacid;AC-2872;CS-W002957;PS-4293;BP-10777;SY003207;4-(1H-1,2,4 triazol-1yl)benzoic acid;4-(1H-1,2,4-triazol-1-yl)-benzoic acid;FT-0616470;EN300-12928;W-205913;4-(1H-1,2,4-Triazol-1-yl)benzoic acid, AldrichCPR;Z85936777;F3099-6578;ZRS

Suppliers and Price of 4-(1H-1,2,4-Triazol-1-yl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(1H-1,2,4-Triazol-1-yl)benzoicAcid
500mg
$ 110.00

SynQuest Laboratories
4-(1H-1,2,4-Triazol-1-yl)benzoic acid
250 mg
$ 61.00

SynQuest Laboratories
4-(1H-1,2,4-Triazol-1-yl)benzoic acid
1 g
$ 80.00

SynChem
4-[1,2,4]Triazol-1-yl-benzoic acid 95+%
1 g
$ 70.00

SynChem
4-[1,2,4]Triazol-1-yl-benzoic acid 95+%
5 g
$ 210.00

SynChem
4-[1,2,4]Triazol-1-yl-benzoic acid 95+%
10 g
$ 350.00

Matrix Scientific
4-(1H-1,2,4-Triazol-1-yl)benzoic acid 97%
10g
$ 1428.00

Matrix Scientific
4-(1H-1,2,4-Triazol-1-yl)benzoic acid 97%
1g
$ 194.00

Crysdot
4-[1,2,4]Triazol-1-yl-benzoicacid 97%
5g
$ 220.00

Crysdot
4-[1,2,4]Triazol-1-yl-benzoicacid 97%
1g
$ 70.00

Total 30 raw suppliers

Chemical Property of 4-(1H-1,2,4-Triazol-1-yl)benzoic Acid

Chemical Property:

Appearance/Colour:white crystal powder
Vapor Pressure:6E-08mmHg at 25°C
Melting Point:318 °C
Boiling Point:424.1 °C at 760 mmHg
Flash Point:210.3 °C
PSA：68.01000
Density:1.39 g/cm³
LogP:0.96550
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.053826475
Heavy Atom Count:14
Complexity:214

Purity/Quality:

99%, ^*data from raw suppliers

4-(1H-1,2,4-Triazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)O)N2C=NC=N2

Technology Process of 4-(1H-1,2,4-Triazol-1-yl)benzoic Acid

There total 5 articles about 4-(1H-1,2,4-Triazol-1-yl)benzoic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

: 27996-86-7
4-(1H-1,2,4-triazol-1-yl)benzaldehyde

: 162848-16-0
4-(1H-1,2,4-triazol-1-yl)-benzoic acid

Guidance literature:: 4-(1H-1,2,4-triazol-1-yl)benzaldehyde; With silver nitrate; sodium hydroxide; In water; at 60 ℃; for 24h;

With hydrogenchloride; In water; pH=Ca. 2;
DOI:10.1021/cg300889x

Reference yield:

: 288-88-0
1,2,4-Triazole

: 451-46-7
4-fluorobenzoic acid ethyl ester

: 162848-16-0
4-(1H-1,2,4-triazol-1-yl)-benzoic acid

Guidance literature:: 1,2,4-Triazole; 4-fluorobenzoic acid ethyl ester; With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 190 ℃; for 0.5h; Microwave irradiation;

With hydrogenchloride; In 1-methyl-pyrrolidin-2-one; water;

Reference yield:

: 143426-48-6
ethyl 4-(1,2,4-triazol-1-yl)benzoate

: 162848-16-0
4-(1H-1,2,4-triazol-1-yl)-benzoic acid

Guidance literature:: ethyl 4-(1,2,4-triazol-1-yl)benzoate; With sodium hydroxide; In tetrahydrofuran; ethanol; at 20 ℃; for 2h;

With hydrogenchloride; In water;