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

Base Information

Chemical Name:4-(1H-Pyrrol-1-yl)benzoic acid
CAS No.:22106-33-8
Molecular Formula:C11H9NO2
Molecular Weight:187.198
Hs Code.:2933990090
European Community (EC) Number:626-548-6
DSSTox Substance ID:DTXSID00371949
Nikkaji Number:J817.214E
Wikidata:Q82159509
ChEMBL ID:CHEMBL262601
Mol file:22106-33-8.mol

Synonyms:4-(1H-Pyrrol-1-yl)benzoic acid;22106-33-8;4-pyrrol-1-ylbenzoic acid;4-(1-PYRROLYL)BENZOIC ACID;N-(4-Carboxy)phenylpyrrole;4-(1-Pyrrolo)benzoic acid;4-(1H-PYRROL-1-YL)BENZOICACID;4-pyrrol-1-yl-benzoic acid;MFCD00082569;Maybridge1_008067;1-(4-Carboxyphenyl)pyrrole;Oprea1_671922;SCHEMBL217623;CHEMBL262601;4-(1H-pyrrol-1yl)benzoic acid;4-(pyrrole-1-yl) benzoic acid;HMS564G15;DTXSID00371949;NLSIIPKSANRIGS-UHFFFAOYSA-N;STK204986;AKOS000103580;PS-4888;SB62148;SDCCGMLS-0066059.P001;4-(1H-Pyrrol-1-yl)benzoic acid, 99%;BENZOIC ACID,4-(1H-PYRROL-1-YL)-;CS-0073064;FT-0616483;EN300-13250;VU0483996-1;J-200060;Z57352968;F3284-8102;InChI=1/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14

Suppliers and Price of 4-(1H-Pyrrol-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-Pyrrol-1-yl)benzoic acid
100mg
$ 45.00

TRC
4-(1H-Pyrrol-1-yl)benzoic acid
1g
$ 155.00

SynQuest Laboratories
4-(1H-Pyrrol-1-yl)benzoic acid 95.0%
1 g
$ 157.00

Sigma-Aldrich
4-(1H-Pyrrol-1-yl)benzoic acid 99%
1g
$ 140.00

Matrix Scientific
4-(1H-Pyrrol-1-yl)benzoic acid
500mg
$ 158.00

Crysdot
4-(1H-Pyrrol-1-yl)benzoic acid 97%
1g
$ 46.00

Crysdot
4-(1H-Pyrrol-1-yl)benzoic acid 97%
5g
$ 169.00

Chemenu
4-(1H-Pyrrol-1-yl)benzoic acid 95%+
5g
$ 494.00

Chemenu
4-(1H-Pyrrol-1-yl)benzoic acid 95%+
250mg
$ 80.00

Chemenu
4-(1H-Pyrrol-1-yl)benzoic acid 95%+
1g
$ 199.00

Total 24 raw suppliers

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

Chemical Property:

Vapor Pressure:1.14E-05mmHg at 25°C
Melting Point:286-289 °C(lit.)
Boiling Point:355.5 °C at 760 mmHg
PKA:3.83±0.10(Predicted)
Flash Point:168.8 °C
PSA：42.23000
Density:1.18g/cm³
LogP:2.17550
Storage Temp.:Sealed in dry,Room Temperature
Sensitive.:Moisture Sensitive
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Heavy Atom Count:14
Complexity:203

Purity/Quality:

99%, ^*data from raw suppliers

4-(1H-Pyrrol-1-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C=C1)C2=CC=C(C=C2)C(=O)O
Uses 4-(1H-pyrrol-1-yl)benzoic acid is a useful research chemical.

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

There total 13 articles about 4-(1H-Pyrrol-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: 99.0%

: 5044-37-1
1-(4-ethoxycarbonylphenyl)pyrrole

: 22106-33-8
4-(1H-pyrrole-1-yl)benzoic acid

Guidance literature:: 1-(4-ethoxycarbonylphenyl)pyrrole; With sodium hydroxide; In methanol; for 16h;

With hydrogenchloride; In methanol;

Reference yield: 72.0%

: 109-97-7,30604-81-0
pyrrole

: 619-58-9
4-iodobenzoic acid

: 22106-33-8
4-(1H-pyrrole-1-yl)benzoic acid

Guidance literature:: With copper(II) ferrite; potassium tert-butylate; In N,N-dimethyl-formamide; at 155 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.tetlet.2011.02.050