Home Carboxes 2516-96-3
2516-96-3,MFCD00007294
Catalog No.:AA002QMA

2516-96-3 | Benzoic acid, 2-chloro-5-nitro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
99%
in stock  
$6.00   $4.00
- +
100g
99%
in stock  
$13.00   $9.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002QMA
Chemical Name:
Benzoic acid, 2-chloro-5-nitro-
CAS Number:
2516-96-3
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007294
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl
NSC Number:
8441
Properties
Properties
 
BP:
356.5°C at 760 mmHg  
Form:
Solid  
MP:
165-168 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Solubility:
3.6g/l  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]Patent:WO2008/152014,2008,A2,

[1]RecueildesTravauxChimiquesdesPays-Bas,1900,vol.19,p.55

[2]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.215,225

[3]JustusLiebigsAnnalenderChemie,1884,vol.222,p.195

[1]RecueildesTravauxChimiquesdesPays-Bas,1926,vol.45,p.531

[2]JustusLiebigsAnnalenderChemie,1884,vol.222,p.195

[3]RecueildesTravauxChimiquesdesPays-Bas,1900,vol.19,p.55

[4]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.215,225

[1]Patent:EP1176140,2002,A1,

[1]Patent:EP1176140,2002,A1,

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1923,vol.45,p.1914

[1]Patent:WO2006/123145,2006,A1.Locationinpatent:Page/Pagecolumn61-62

[2]RecueildesTravauxChimiquesdesPays-Bas,1936,vol.55,p.737,740

[3]Patent:WO2013/186692,2013,A1.Locationinpatent:Page/Pagecolumn66

[1]JournaloftheAmericanChemicalSociety,1923,vol.45,p.1914

[1]Arzneimittel-Forschung/DrugResearch,1982,vol.32,p.183-186

[2]ChemicalandPharmaceuticalBulletin,1988,vol.36,p.3462-3467

[3]Patent:CN106748721,2017,A.Locationinpatent:Paragraph0029;0030

[4]AngewandteChemie-InternationalEdition,1999,vol.38,p.2777-2779

[5]JustusLiebigsAnnalenderChemie,1868,vol.147,p.258

[6]JournaloftheIndianChemicalSociety,1941,vol.18,p.25,26

[7]Patent:US2100242,1936,

[8]JournaloftheChemicalSociety,1946,p.102,107

[9]GrundlegendeOperationenderFarbenchemie,5.Aufl.<Wien1943>,S.162,

[10]JournalofOrganicChemistry,1954,vol.19,p.357,362

[11]MonatsheftefurChemie,1921,vol.42,p.80    ZhurnalRusskagoFiziko-KhimicheskagoObshchestva,1924,vol.54,p.832    ChemischesZentralblatt,1925,vol.96,p.227

[12]BulletindelaSocieteChimiquedeFrance,1966,p.1848-1858

[13]JournalofOrganicChemistry,1961,vol.26,p.919-923

[14]EuropeanJournalofOrganicChemistry,2018,vol.2018,p.209-214

[1]DocampoPalacios,MaiteL.;PellonComdom,RolandoF.[SyntheticCommunications,2003,vol.33,#10,p.1783-1787]

[2]CurrentPatentAssignee:KAMPPHARMACEUTICAL-CN107778189,2018,ALocationinpatent:Paragraph0015;0018

[3]CurrentPatentAssignee:CELLIXBIOPRIVATELTD-US2016/120839,2016,A1Locationinpatent:Paragraph0129;0130

[4]CurrentPatentAssignee:CELLIXBIOPRIVATELTD-US9498461,2016,B2Locationinpatent:Page/Pagecolumn39;40;41

[5]CurrentPatentAssignee:CELLIXBIOPRIVATELTD-JP2015/522549,2015,ALocationinpatent:Paragraph0103-0105;0392-0394

[6]PellonComdom,RolandoF.;DocampoPalacios,MaiteL.[SyntheticCommunications,2002,vol.32,#13,p.2055-2059]

[7]Purgotti;Contardi[GazzettaChimicaItaliana,1902,vol.32I,p.531]

[8]Goldberg[JournaloftheChemicalSociety,1952,p.4368,4371]

[9]Dey;Doraiswami[JournaloftheIndianChemicalSociety,1933,vol.10,p.353,357]

[10]CurrentPatentAssignee:DUPONTDENEMOURSINC-US7335791,2008,B1Locationinpatent:Page/Pagecolumn20-21

[11]Sagmeister,Peter;Lebl,René;Castillo,Ismael;Rehrl,Jakob;Kruisz,Julia;Sipek,Martin;Horn,Martin;Sacher,Stephan;Cantillo,David;Williams,JasonD.;Kappe,C.Oliver[AngewandteChemie-InternationalEdition,2021,vol.60,#15,p.8139-8148][Angew.Chem.,2021,vol.133,#15,p.8220-8229,10]

Literature

Title: 4-Chloro-2-nitro-benzoic acid-pyrazine (2/1).

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Octa-butyl-bis-(μ(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-μ(3)-oxido-tetra-tin(IV).

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: Decarboxylative homocoupling of (hetero)aromatic carboxylic acids.

Journal: Chemical communications (Cambridge, England) 20101121

Title: Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20091001

Title: Catalyst-free microwave-assisted amination of 2-chloro-5-nitrobenzoic acid.

Journal: The Journal of organic chemistry 20070720

Title: Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020401

Title: Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20011201

Title: 2:1 complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010701

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:2516-96-3 Molecular Formula|2516-96-3 MDL|2516-96-3 SMILES|2516-96-3 Benzoic acid, 2-chloro-5-nitro- |Organic_Building_Blocks