4-(1H-Imidazol-1-yl)benzoic acid

Base Information

Chemical Name:4-(1H-Imidazol-1-yl)benzoic acid
CAS No.:17616-04-5
Molecular Formula:C10H8N2O2
Molecular Weight:188.186
Hs Code.:29332900
European Community (EC) Number:625-499-8
DSSTox Substance ID:DTXSID90353057
Nikkaji Number:J1.952.483C
Wikidata:Q72482364
ChEMBL ID:CHEMBL4543910
Mol file:17616-04-5.mol

Synonyms:4-(1H-Imidazol-1-yl)benzoic acid;17616-04-5;4-(1-imidazolyl)benzoic acid;4-imidazol-1-ylbenzoic acid;4-(imidazol-1-yl)benzoic acid;Benzoic acid, 4-(1H-imidazol-1-yl)-;4-(1H-imidazol-1-yl)benzoicacid;MFCD00586645;4-(IMIDAZOL-1-YL)-BENZOIC ACID;4-(1H-Imidazole-1-yl)benzoic acid;SDCCGMLS-0066008.P001;Oprea1_400367;SCHEMBL62049;YSZC534;4-imidazol-1-yl benzoic acid;4-imidazol-1-yl-benzoic acid;CHEMBL4543910;AMY4761;DTXSID90353057;LFIDZIWWYNTQOQ-UHFFFAOYSA-N;4-(1H-Imidazol -1-yl)benzoic acid;AKOS000260659;AC-2821;AC-2826;PS-4292;OXAZOLE-5-CARBOXYLICACIDHYDRAZIDE;SY003057;CS-0110912;FT-0616791;I1017;EN300-24282;A24844;J-640093;J-800096;W-206233;Z175791402

Suppliers and Price of 4-(1H-Imidazol-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-Imidazol-1-yl)benzoicAcid
10mg
$ 45.00

TCI Chemical
4-(1-Imidazolyl)benzoic Acid
1G
$ 128.00

SynQuest Laboratories
4-(1H-Imidazol-1-yl)benzoic acid
500 mg
$ 29.00

Oakwood
4-(1H-Imidazol-1-yl)benzoicacid 97%
250mg
$ 20.00

Matrix Scientific
4-(1H-Imidazol-1-yl)benzoic acid 97%
10g
$ 1512.00

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

Heterocyclics
4-(1H-Imidazol-1-yl)benzoic acid 97%
25g
$ 412.00

Heterocyclics
4-(1H-Imidazol-1-yl)benzoic acid 97%
5g
$ 129.00

Crysdot
4-(1H-Imidazol-1-yl)benzoicacid 95+%
5g
$ 182.00

Chem-Impex
4-(1-Imidazolyl)benzoicacid,≥98%(GC) ≥98%(GC)
1G
$ 144.45

Total 34 raw suppliers

Chemical Property of 4-(1H-Imidazol-1-yl)benzoic acid

Chemical Property:

Melting Point:305 °C (dec.)(lit.)
Boiling Point:403.6 °C at 760 mmHg
PKA:3.65±0.10(Predicted)
Flash Point:197.9 °C
PSA：55.12000
Density:1.28g/cm³
LogP:1.57050
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.058577502
Heavy Atom Count:14
Complexity:212

Purity/Quality:

99%, ^*data from raw suppliers

4-(1H-Imidazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36-37/39-36/37/39-22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)O)N2C=CN=C2

Technology Process of 4-(1H-Imidazol-1-yl)benzoic acid

There total 11 articles about 4-(1H-Imidazol-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: 91.0%

: 10040-98-9
1-(4-formylphenyl)-1H-imidazole

: 17616-04-5
4-(1H-imidazol-1-yl)benzoic acid

Guidance literature:: With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;
DOI:10.1021/acs.orglett.1c02188