2-(1H-Imidazol-1-yl)benzoic acid

Base Information

Chemical Name:2-(1H-Imidazol-1-yl)benzoic acid
CAS No.:159589-67-0
Molecular Formula:C10H8N2O2
Molecular Weight:188.18
Hs Code.:29339900
DSSTox Substance ID:DTXSID60383765
Nikkaji Number:J2.187.918E
Wikidata:Q82175558
ChEMBL ID:CHEMBL4446573
Mol file:159589-67-0.mol

Synonyms:2-(1H-Imidazol-1-yl)benzoic acid;159589-67-0;2-(1-Imidazolyl)benzoic Acid;2-imidazol-1-ylbenzoic Acid;Benzoic acid, 2-(1H-imidazol-1-yl)-;CHEMBL4446573;MFCD06254507;2-(1-Imidazolyl)benzoicAcid;YSWG477;SCHEMBL726313;DTXSID60383765;JLUJWVALPVZBOU-UHFFFAOYSA-N;6-(1H-imidazol-1-yl)benzoic acid;2-(1H-Imidazole-1-yl)benzoic acid;BDBM50521384;AKOS000260661;AB93315;AC-3032;PS-3193;SY003623;CS-0096794;FT-0691185;2-(1H-imidazol-1-yl)benzoic acid, AldrichCPR;A883297;W-205846

Suppliers and Price of 2-(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
2-(1H-Imidazol-1-yl)benzoicAcid
10mg
$ 45.00

SynQuest Laboratories
2-(1H-Imidazol-1-yl)benzoic acid
250 mg
$ 68.00

SynQuest Laboratories
2-(1H-Imidazol-1-yl)benzoic acid
1 g
$ 116.00

SynQuest Laboratories
2-(1H-Imidazol-1-yl)benzoic acid
5 g
$ 429.00

Crysdot
2-(1H-Imidazol-1-yl)benzoicacid 97%
10g
$ 403.00

Crysdot
2-(1H-Imidazol-1-yl)benzoicacid 97%
25g
$ 785.00

Chemenu
2-(1H-Imidazol-1-yl)benzoicacid 95+%
25g
$ 883.00

Chemenu
2-(1H-Imidazol-1-yl)benzoicacid 95+%
10g
$ 357.00

Chemenu
2-(1H-Imidazol-1-yl)benzoicacid 95+%
5g
$ 238.00

Chemenu
2-(1H-Imidazol-1-yl)benzoicacid 95+%
1g
$ 70.00

Total 24 raw suppliers

Chemical Property of 2-(1H-Imidazol-1-yl)benzoic acid

Chemical Property:

Vapor Pressure:2.05E-07mmHg at 25°C
Melting Point:198 °C
Refractive Index:1.631
Boiling Point:408.7 °C at 760 mmHg
PKA:3.32±0.36(Predicted)
Flash Point:201 °C
PSA：55.12000
Density:1.28 g/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:220

Purity/Quality:

99%, ^*data from raw suppliers

2-(1H-Imidazol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(1H-Imidazol-1-yl)benzoic acid

There total 6 articles about 2-(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: 97.0%

: 288-32-4
1H-imidazole

: 88-65-3
2-bromobenzoic-acid

: 159589-67-0
2-(1H-imidazol-1-yl)benzoic acid

Guidance literature:: 1H-imidazole; 2-bromobenzoic-acid; With 1,2-ethanedione dioxime; copper(l) chloride; sodium hydroxide; In water; at 100 ℃; for 24h; Inert atmosphere; sealed tube;

With hydrogenchloride; In water; pH=6 - 7;
DOI:10.1039/c002172e

Reference yield: 90.0%

: 288-32-4
1H-imidazole

: 89-98-5
2-chloro-benzaldehyde

: 159589-67-0
2-(1H-imidazol-1-yl)benzoic acid

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 8h;
DOI:10.1055/s-0029-1216890

Reference yield:

: 288-32-4
1H-imidazole

: 88-67-5
2-Iodobenzoic acid

: 159589-67-0
2-(1H-imidazol-1-yl)benzoic acid

Guidance literature:: With potassium carbonate; N,N′-dimethyl-1,2-ethanediamine; copper(l) chloride; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.8b01827