Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-

Base Information

Chemical Name:Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-
CAS No.:58588-60-6
Molecular Formula:C₁₀H₈ClNO₄
Molecular Weight:241.631
Hs Code.:
ChEMBL ID:CHEMBL3276645
DSSTox Substance ID:DTXSID101218760

Synonyms:CHEMBL3276645;Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-;DTXSID101218760;58588-60-6

Suppliers and Price of Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-

Supply Marketing:

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

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Chemical Property of Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:241.0141854
Heavy Atom Count:16
Complexity:323

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CC1=C(C=C(C=C1)C(=O)O)Cl)[N+](=O)[O-]
Isomeric SMILES:C/C(=C\C1=C(C=C(C=C1)C(=O)O)Cl)/[N+](=O)[O-]

Technology Process of Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)-

There total 2 articles about Benzoic acid, 3-chloro-4-(2-nitro-1-propenyl)-, (E)- 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:

: 58588-64-0
3-chloro-4-formyl-benzonitrile

: 58588-60-6
3-Chloro-4-((E)-2-nitro-propenyl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. HCl / Heating

2: (i) nBuNH₂, benzene, (ii) /BRN= 1209324/, AcOH

With hydrogenchloride;
DOI:10.1021/jm00228a009