57676-51-4,MFCD00157887
Catalog No.:AA00E96Z

57676-51-4 | 2-(4-Chlorophenyl)acetohydrazide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$99.00   $69.00
- +
5g
98%
in stock  
$297.00   $208.00
- +
25g
98%
in stock  
$1,202.00 $842.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00E96Z
Chemical Name:
2-(4-Chlorophenyl)acetohydrazide
CAS Number:
57676-51-4
Molecular Formula:
C8H9ClN2O
Molecular Weight:
184.6229
MDL Number:
MFCD00157887
SMILES:
NNC(=O)Cc1ccc(cc1)Cl
Properties
Properties
 
BP:
394.9°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Rosen,G.M.etal.[JournalofHeterocyclicChemistry,1971,vol.8,p.659-662]

[1]ZeitschriftfurChemie,1989,vol.29,p.283-284

[2]JournalofAgriculturalandFoodChemistry,2012,vol.60,p.1036-1041

[3]Arzneimittel-Forschung/DrugResearch,2011,vol.61,p.452-457

[4]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.1677-1680

[5]Phosphorus,SulfurandSiliconandtheRelatedElements,2016,vol.191,p.904-907

[6]JournalofHeterocyclicChemistry,2019,vol.56,p.1376-1382

[1]JournalofChemicalResearch-PartS,2000,p.376-377

[1]Chaudhary,BharatN.;Gandhi,Bhumi;Kanhed,AshishM.;Patel,DushyantV.;Patel,KirtiV.;Patel,KishanB.;Patel,NiravR.;Prajapati,NavnitK.;Shah,BhavikS.;Teli,DivyaM.;Yadav,MangeRam[JournalofBiomolecularStructureandDynamics,2021]

[2]Xu,Wei-Ming;Han,Fei-Fei;He,Ming;Hu,De-Yu;He,Jiang;Yang,Song;Song,Bao-An[JournalofAgriculturalandFoodChemistry,2012,vol.60,#4,p.1036-1041]

[3]Chhabria,MaheshT.;Suhagia,BhanubhaiN.;Brahmkshatriya,PathikS.;Raval,PriyeshaM.[Arzneimittel-Forschung/DrugResearch,2011,vol.61,#8,p.452-457]

[4]Kaushik,Darpan;Kumar,Rajnish;Khan,SuroorAhmed;Chawla,Gita[MedicinalChemistryResearch,2012,vol.21,#11,p.3646-3655]

[5]Li,Pei;Shi,Li;Yang,Xia;Yang,Lei;Chen,Xue-Wen;Wu,Fang;Shi,Qing-Cai;Xu,Wei-Ming;He,Ming;Hu,De-Yu;Song,Bao-An[BioorganicandMedicinalChemistryLetters,2014,vol.24,#7,p.1677-1680]

[6]Li,Pei;Shi,Li;Gao,Man-Ni;Yang,Xia;Xue,Wei;Jin,Lin-Hong;Hu,De-Yu;Song,Bao-An[BioorganicandMedicinalChemistryLetters,2015,vol.25,#3,p.481-484]

[7]Chen,Ling;Wang,Peiyi;Li,Zhenxing;Zhou,Lei;Wu,Zhibing;Song,Baoan;Yang,Song[ChineseJournalofChemistry,2016,vol.34,#12,p.1236-1244]

[8]Zhou,Wen-Juan;Zhang,Li;Xiao,Wei;Chen,He-Ju;Wu,Wen-Neng;Ouyang,Gui-Ping[JournalofHeterocyclicChemistry,2017,vol.54,#2,p.1423-1429]

[9]CurrentPatentAssignee:SOUTHERNILLINOISUNIVERSITY-WO2018/209267,2018,A2

[10]Kamboj,VipanKumar;Kapoor,Archana;Jain,Sandeep[JournalofHeterocyclicChemistry,2019,vol.56,#4,p.1376-1382]

[11]Wang,Xiaobin;Chai,Jianqi;Kong,Xiangyi;Jin,Fei;Chen,Min;Yang,Chunlong;Xue,Wei[BioorganicandMedicinalChemistry,2021,vol.45]

[12]Crider,A.Michael;Farr,SusanA.;Frare,Rafael;Hospital,Audrey;Kontoyianni,Maria;Kukielski,StephenG.;Minaeian,Mahsa;Mobayen,Shirin;Neumann,WilliamL.;Niehoff,MichaelL.;Sandoval,KarinE.;Slater,Olivia;Srabony,KhushN.;Witt,KenA.[2021,vol.12,#8,p.1352-1365]

[13]Zhu,Jian-Jun;Wang,Pei-Yi;Long,Zhou-Qing;Xiang,Shu-Zhen;Zhang,Jun-Rong;Li,Zhen-Xing;Wu,Yuan-Yuan;Shao,Wu-Bin;Zhou,Xiang;Liu,Li-Wei;Yang,Song[JournalofAgriculturalandFoodChemistry,2022,vol.70,#9,p.2825-2838]

[1]EuropeanJournalofMedicinalChemistry,2013,vol.67,p.325-334

Literature

Title: Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives.

Journal: Journal of medicinal chemistry 20040715

Title: Chemotherapy of experimental tuberculosis. V. Isonicotinic acid hydrazide (nydrazid) and related compounds.

Journal: American review of tuberculosis 19520401

Quotation Request
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Additional Info:
SDS
Tags:57676-51-4 Molecular Formula|57676-51-4 MDL|57676-51-4 SMILES|57676-51-4 2-(4-Chlorophenyl)acetohydrazide
Catalog No.: AA00E96Z
57676-51-4,MFCD00157887
57676-51-4 | 2-(4-Chlorophenyl)acetohydrazide
Pack Size: 1g
Purity: 98%
in stock
$99.00 $69.00
Pack Size: 5g
Purity: 98%
in stock
$297.00 $208.00
Pack Size: 25g
Purity: 98%
in stock
$1,202.00 $842.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00E96Z
Chemical Name: 2-(4-Chlorophenyl)acetohydrazide
CAS Number: 57676-51-4
Molecular Formula: C8H9ClN2O
Molecular Weight: 184.6229
MDL Number: MFCD00157887
SMILES: NNC(=O)Cc1ccc(cc1)Cl
Properties
BP: 394.9°C at 760 mmHg  
Storage: Keep in dry area;2-8℃;  
Complexity: 155  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
75-44-5    57676-51-4    34547-04-1 

[1]Rosen,G.M.etal.[JournalofHeterocyclicChemistry,1971,vol.8,p.659-662]

52449-43-1    57676-51-4 

[1]ZeitschriftfurChemie,1989,vol.29,p.283-284

[2]JournalofAgriculturalandFoodChemistry,2012,vol.60,p.1036-1041

[3]Arzneimittel-Forschung/DrugResearch,2011,vol.61,p.452-457

[4]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.1677-1680

[5]Phosphorus,SulfurandSiliconandtheRelatedElements,2016,vol.191,p.904-907

[6]JournalofHeterocyclicChemistry,2019,vol.56,p.1376-1382

67-56-1    57676-51-4    52449-43-1 

[1]JournalofChemicalResearch-PartS,2000,p.376-377

1878-66-6    57676-51-4 

[1]Chaudhary,BharatN.;Gandhi,Bhumi;Kanhed,AshishM.;Patel,DushyantV.;Patel,KirtiV.;Patel,KishanB.;Patel,NiravR.;Prajapati,NavnitK.;Shah,BhavikS.;Teli,DivyaM.;Yadav,MangeRam[JournalofBiomolecularStructureandDynamics,2021]

[2]Xu,Wei-Ming;Han,Fei-Fei;He,Ming;Hu,De-Yu;He,Jiang;Yang,Song;Song,Bao-An[JournalofAgriculturalandFoodChemistry,2012,vol.60,#4,p.1036-1041]

[3]Chhabria,MaheshT.;Suhagia,BhanubhaiN.;Brahmkshatriya,PathikS.;Raval,PriyeshaM.[Arzneimittel-Forschung/DrugResearch,2011,vol.61,#8,p.452-457]

[4]Kaushik,Darpan;Kumar,Rajnish;Khan,SuroorAhmed;Chawla,Gita[MedicinalChemistryResearch,2012,vol.21,#11,p.3646-3655]

[5]Li,Pei;Shi,Li;Yang,Xia;Yang,Lei;Chen,Xue-Wen;Wu,Fang;Shi,Qing-Cai;Xu,Wei-Ming;He,Ming;Hu,De-Yu;Song,Bao-An[BioorganicandMedicinalChemistryLetters,2014,vol.24,#7,p.1677-1680]

[6]Li,Pei;Shi,Li;Gao,Man-Ni;Yang,Xia;Xue,Wei;Jin,Lin-Hong;Hu,De-Yu;Song,Bao-An[BioorganicandMedicinalChemistryLetters,2015,vol.25,#3,p.481-484]

[7]Chen,Ling;Wang,Peiyi;Li,Zhenxing;Zhou,Lei;Wu,Zhibing;Song,Baoan;Yang,Song[ChineseJournalofChemistry,2016,vol.34,#12,p.1236-1244]

[8]Zhou,Wen-Juan;Zhang,Li;Xiao,Wei;Chen,He-Ju;Wu,Wen-Neng;Ouyang,Gui-Ping[JournalofHeterocyclicChemistry,2017,vol.54,#2,p.1423-1429]

[9]CurrentPatentAssignee:SOUTHERNILLINOISUNIVERSITY-WO2018/209267,2018,A2

[10]Kamboj,VipanKumar;Kapoor,Archana;Jain,Sandeep[JournalofHeterocyclicChemistry,2019,vol.56,#4,p.1376-1382]

[11]Wang,Xiaobin;Chai,Jianqi;Kong,Xiangyi;Jin,Fei;Chen,Min;Yang,Chunlong;Xue,Wei[BioorganicandMedicinalChemistry,2021,vol.45]

[12]Crider,A.Michael;Farr,SusanA.;Frare,Rafael;Hospital,Audrey;Kontoyianni,Maria;Kukielski,StephenG.;Minaeian,Mahsa;Mobayen,Shirin;Neumann,WilliamL.;Niehoff,MichaelL.;Sandoval,KarinE.;Slater,Olivia;Srabony,KhushN.;Witt,KenA.[2021,vol.12,#8,p.1352-1365]

[13]Zhu,Jian-Jun;Wang,Pei-Yi;Long,Zhou-Qing;Xiang,Shu-Zhen;Zhang,Jun-Rong;Li,Zhen-Xing;Wu,Yuan-Yuan;Shao,Wu-Bin;Zhou,Xiang;Liu,Li-Wei;Yang,Song[JournalofAgriculturalandFoodChemistry,2022,vol.70,#9,p.2825-2838]

57676-51-4    14527-26-5    501919-85-3 

[1]EuropeanJournalofMedicinalChemistry,2013,vol.67,p.325-334

Literature fold

Title: Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives.

Journal: Journal of medicinal chemistry20040715

Title: Chemotherapy of experimental tuberculosis. V. Isonicotinic acid hydrazide (nydrazid) and related compounds.

Journal: American review of tuberculosis19520401

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