3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Base Information

Chemical Name:3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CAS No.:5998-99-2
Molecular Formula:C18H13BrN2O3
Molecular Weight:188.186
Hs Code.:
DSSTox Substance ID:DTXSID90417305
Mol file:5998-99-2.mol

Synonyms:5998-99-2;3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid;AC1NT66H;SCHEMBL245318;DTXSID90417305;SR-01000225052;SR-01000225052-1

Suppliers and Price of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-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

Total 3 raw suppliers

Chemical Property of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Chemical Property:

Vapor Pressure:1.42E-13mmHg at 25°C
Boiling Point:564.4°Cat760mmHg
Flash Point:295.1°C
PSA：69.97000
Density:1.5g/cm³
LogP:3.45400
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:384.01095
Heavy Atom Count:24
Complexity:587

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=O)C1=CC2=CC(=CC=C2)Br)C3=CC=CC(=C3)C(=O)O
Isomeric SMILES:CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)Br)C3=CC=CC(=C3)C(=O)O

Technology Process of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

There total 2 articles about 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-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: