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50803-23-1,MFCD00625719
Catalog No.:AA00DA5I

50803-23-1 | 4-Bromo-3-chlorosulfonyl-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$128.00   $90.00
- +
5g
96%
in stock  
$477.00   $334.00
- +
10g
96%
in stock  
$760.00   $532.00
- +
25g
96%
in stock  
$1,507.00   $1,055.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DA5I
Chemical Name:
4-Bromo-3-chlorosulfonyl-benzoic acid
CAS Number:
50803-23-1
Molecular Formula:
C7H4BrClO4S
Molecular Weight:
299.5263
MDL Number:
MFCD00625719
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)Cl)Br
Properties
Properties
 
Form:
Solid  
MP:
203-205℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
323  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2007/58960,2007,A1Locationinpatent:Page/Pagecolumn80

[2]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

[3]Worm,Karin;Zhou,Q.Jean;Saeui,ChristopherT.;Green,RosalynC.;Cassel,JoelA.;Stabley,GabrielJ.;DeHaven,RobertN.;Conway-James,Nathalie;LaBuda,ChristopherJ.;Koblish,Michael;Little,PatrickJ.;Dolle,RolandE.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#9,p.2830-2835]

[1]CurrentPatentAssignee:MERCK&COINC-US2006/79557,2006,A1Locationinpatent:Page/Pagecolumn74

[2]CurrentPatentAssignee:MERCK&COINC-WO2007/58960,2007,A1Locationinpatent:Page/Pagecolumn80

[3]CurrentPatentAssignee:PFIZERINC-WO2004/18414,2004,A2Locationinpatent:Page133

[4]CurrentPatentAssignee:7TMPHARMAAS-WO2005/115374,2005,A1Locationinpatent:Page/Pagecolumn19;24

[5]CurrentPatentAssignee:PIRAMALENTERPRISESLIMITED-WO2006/51476,2006,A1Locationinpatent:Page/Pagecolumn88

[6]Weidel,Elisabeth;DeJong,JohannesC.;Brengel,Christian;Storz,MichaelP.;Braunshausen,Andrea;Negri,Matthias;Plaza,Alberto;Steinbach,Anke;Müller,Rolf;Hartmann,RolfW.[JournalofMedicinalChemistry,2013,vol.56,#15,p.6146-6155]

[7]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/96744,2013,A1Locationinpatent:Page/Pagecolumn244

[8]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2009/42970,2009,A1Locationinpatent:Page/Pagecolumn57

[9]CurrentPatentAssignee:UNIVERSITYOFCHICAGO-WO2015/138377,2015,A1Locationinpatent:Paragraph00113

[10]Prasad,ThazheKootteri;Suh,MyunghyunPaik[DaltonTransactions,2020,vol.49,#42,p.15034-15040]

[11]CurrentPatentAssignee:FOGHORNTHERAPEUTICSINC-WO2022/103899,2022,A1Locationinpatent:Page/Pagecolumn198-199

[12]CurrentPatentAssignee:FOGHORNTHERAPEUTICSINC-WO2022/103899,2022,A1Locationinpatent:Page/Pagecolumn198-199

[13]Takano,Yoko;Hanaoka,Kenjiro;Shimamoto,Kazuhito;Miyamoto,Ryo;Komatsu,Toru;Ueno,Tasuku;Terai,Takuya;Kimura,Hideo;Nagano,Tetsuo;Urano,Yasuteru[ChemicalCommunications,2017,vol.53,#6,p.1064-1067]

[14]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

[15]CurrentPatentAssignee:CYTEIRTHERAPEUTICS,INC.-WO2020/186006,2020,A1Locationinpatent:Page/Pagecolumn161-162

[16]Dai,Huanqin;Gao,Li;Li,Zhengming;Meng,Fanfei;Mi,Pengcheng;Ren,Jinzhou;Wei,Wei;Yu,Zhenwu[JournalofMolecularStructure,2022,vol.1260]

[1]Weidel,Elisabeth;DeJong,JohannesC.;Brengel,Christian;Storz,MichaelP.;Braunshausen,Andrea;Negri,Matthias;Plaza,Alberto;Steinbach,Anke;Müller,Rolf;Hartmann,RolfW.[JournalofMedicinalChemistry,2013,vol.56,#15,p.6146-6155]

[2]Nie,Zhe;Perretta,Carin;Lu,Jia;Su,Ying;Margosiak,Stephen;Gajiwala,KetanS.;Cortez,Joseph;Nikulin,Victor;Yager,KraigM.;Appelt,Krzysztof;Chu,Shaosong[JournalofMedicinalChemistry,2005,vol.48,#5,p.1596-1609]

[1]Nie,Zhe;Perretta,Carin;Lu,Jia;Su,Ying;Margosiak,Stephen;Gajiwala,KetanS.;Cortez,Joseph;Nikulin,Victor;Yager,KraigM.;Appelt,Krzysztof;Chu,Shaosong[JournalofMedicinalChemistry,2005,vol.48,#5,p.1596-1609]

50803-23-1   
4-bromo-3-(N,N-diethylsulfamoyl)benzoylchloride 

[1]Nie,Zhe;Perretta,Carin;Lu,Jia;Su,Ying;Margosiak,Stephen;Gajiwala,KetanS.;Cortez,Joseph;Nikulin,Victor;Yager,KraigM.;Appelt,Krzysztof;Chu,Shaosong[JournalofMedicinalChemistry,2005,vol.48,#5,p.1596-1609]

[2]Weidel,Elisabeth;DeJong,JohannesC.;Brengel,Christian;Storz,MichaelP.;Braunshausen,Andrea;Negri,Matthias;Plaza,Alberto;Steinbach,Anke;Müller,Rolf;Hartmann,RolfW.[JournalofMedicinalChemistry,2013,vol.56,#15,p.6146-6155]

Literature
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Tags:50803-23-1 Molecular Formula|50803-23-1 MDL|50803-23-1 SMILES|50803-23-1 4-Bromo-3-chlorosulfonyl-benzoic acid