52107-98-9,MFCD17015562
Catalog No.:AA00D8VW

52107-98-9 | 3-Iodo-4-methylbenzoyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
1 week  
$192.00   $134.00
- +
5g
95%
1 week  
$402.00   $282.00
- +
10g
95%
1 week  
$561.00   $393.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8VW
Chemical Name:
3-Iodo-4-methylbenzoyl chloride
CAS Number:
52107-98-9
Molecular Formula:
C8H6ClIO
Molecular Weight:
280.4901
MDL Number:
MFCD17015562
SMILES:
ClC(=O)c1ccc(c(c1)I)C
Properties
Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Patent:CN104250253,2017,B.Locationinpatent:Paragraph0068;0084;0085;0086

[2]Patent:WO2003/93248,2003,A1.Locationinpatent:Page/Pagecolumn19

[3]Patent:CN110372705,2019,A.Locationinpatent:Paragraph0045;0048;0058-0059

[4]Patent:CN110467620,2019,A.Locationinpatent:Paragraph0158;0175-0177

[5]JournaloftheChemicalSociety.PerkintransactionsI,1973,p.2940-2948

[6]Journalofmedicinalchemistry,1996,vol.39,p.1220-1226

[7]MedicinalChemistryResearch,1998,vol.8,p.163-170

[8]JournalofMedicinalChemistry,2004,vol.47,p.3163-3179

[9]JournalofMedicinalChemistry,2007,vol.50,p.627-640

[10]JournalofMedicinalChemistry,2000,vol.43,p.1670-1683

[11]Synthesis,2007,p.2121-2124

[12]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn51

[13]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn57

[14]Patent:EP1348706,2003,A1.Locationinpatent:Page/Pagecolumn56

[15]Patent:WO2003/93248,2003,A1.Locationinpatent:Page/Pagecolumn26

[16]JournalofMedicinalChemistry,2009,vol.52,p.4743-4756

[17]JournalofMedicinalChemistry,2009,vol.52,p.6257-6269

[18]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.4196-4200

[19]JournalofMedicinalChemistry,2010,vol.53,p.4701-4719

[20]Patent:WO2006/44823,2006,A2.Locationinpatent:Page/Pagecolumn92;95-96;203-204

[21]Patent:US2007/54916,2007,A1.Locationinpatent:Page/Pagecolumn36

[22]Patent:US2007/54916,2007,A1.Locationinpatent:Page/Pagecolumn51

[23]Patent:US2007/72862,2007,A1.Locationinpatent:Page/Pagecolumn76

[24]Patent:WO2004/10995,2004,A1.Locationinpatent:Page/Pagecolumn28

[25]Patent:WO2010/96395,2010,A1.Locationinpatent:Page/Pagecolumn35;36

[26]Patent:EP2594567,2013,A1.Locationinpatent:Paragraph0050;0051

[27]Patent:US2013/196985,2013,A1.Locationinpatent:Paragraph0125;0129-0131

[28]Patent:US2014/343282,2014,A1.Locationinpatent:Paragraph0074;0078

[29]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3458-3463

[30]JournalofOrganicChemistry,2015,vol.80,p.12234-12243

[31]Patent:WO2015/186137,2015,A1.Locationinpatent:Page/Pagecolumn30

[32]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132

[33]JournalofMedicinalChemistry,2016,vol.59,p.9788-9805

[34]Patent:WO2016/201203,2016,A1.Locationinpatent:Page/Pagecolumn14;15

[35]Patent:US2016/355523,2016,A1.Locationinpatent:Paragraph0252-0253

[36]Patent:EP3133069,2017,A1.Locationinpatent:Paragraph0048

[37]Patent:CN103664951,2016,B.Locationinpatent:Paragraph0045;0046

[38]Patent:CN106883235,2017,A.Locationinpatent:Paragraph0066;0067;0068

[39]Patent:WO2018/112136,2018,A1.Locationinpatent:Page/Pagecolumn00259

[40]ACSMedicinalChemistryLetters,2020,vol.11,p.491-496

[1]El-Moselhy,TarekF.;El-Kersh,MohamedA.;Nyberg,Fred;Hede,Ragnar;Eldawy,MohamedA.[MedicinalChemistryResearch,1998,vol.8,#3,p.163-170]

[1]JournalofMedicinalChemistry,2006,vol.49,p.5671-5686

[1]JournalofMedicinalChemistry,2007,vol.50,p.627-640

694499-26-8    52107-98-9   
3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide 

[1]JournalofMedicinalChemistry,2013,vol.56,p.3033-3047

[2]Patent:WO2015/106292,2015,A1.Locationinpatent:Paragraph00605;00606;00607

[3]JournalofMedicinalChemistry,2010,vol.53,p.4701-4719

[4]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn54

[5]Patent:WO2013/162727,2013,A1.Locationinpatent:Page/Pagecolumn57

[6]Patent:US2015/152088,2015,A1.Locationinpatent:Paragraph0109;0110

[7]Patent:EP2896620,2015,A1.Locationinpatent:Paragraph0049;0050

[8]Patent:EP2927232,2015,A1.Locationinpatent:Paragraph0069

[9]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132

[10]Patent:TWI523856,2016,B.Locationinpatent:Paragraph0061

[11]Patent:CN103664951,2016,B.Locationinpatent:Paragraph0045;0046

Literature
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Additional Info:
SDS
Related Products of 52107-98-9
Tags:52107-98-9 Molecular Formula|52107-98-9 MDL|52107-98-9 SMILES|52107-98-9 3-Iodo-4-methylbenzoyl chloride
Catalog No.: AA00D8VW
52107-98-9,MFCD17015562
52107-98-9 | 3-Iodo-4-methylbenzoyl chloride
Pack Size: 1g
Purity: 95%
1 week
$192.00 $134.00
Pack Size: 5g
Purity: 95%
1 week
$402.00 $282.00
Pack Size: 10g
Purity: 95%
1 week
$561.00 $393.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D8VW
Chemical Name: 3-Iodo-4-methylbenzoyl chloride
CAS Number: 52107-98-9
Molecular Formula: C8H6ClIO
Molecular Weight: 280.4901
MDL Number: MFCD17015562
SMILES: ClC(=O)c1ccc(c(c1)I)C
Properties
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
82998-57-0    52107-98-9 

[1]Patent:CN104250253,2017,B.Locationinpatent:Paragraph0068;0084;0085;0086

[2]Patent:WO2003/93248,2003,A1.Locationinpatent:Page/Pagecolumn19

[3]Patent:CN110372705,2019,A.Locationinpatent:Paragraph0045;0048;0058-0059

[4]Patent:CN110467620,2019,A.Locationinpatent:Paragraph0158;0175-0177

[5]JournaloftheChemicalSociety.PerkintransactionsI,1973,p.2940-2948

[6]Journalofmedicinalchemistry,1996,vol.39,p.1220-1226

[7]MedicinalChemistryResearch,1998,vol.8,p.163-170

[8]JournalofMedicinalChemistry,2004,vol.47,p.3163-3179

[9]JournalofMedicinalChemistry,2007,vol.50,p.627-640

[10]JournalofMedicinalChemistry,2000,vol.43,p.1670-1683

[11]Synthesis,2007,p.2121-2124

[12]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn51

[13]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn57

[14]Patent:EP1348706,2003,A1.Locationinpatent:Page/Pagecolumn56

[15]Patent:WO2003/93248,2003,A1.Locationinpatent:Page/Pagecolumn26

[16]JournalofMedicinalChemistry,2009,vol.52,p.4743-4756

[17]JournalofMedicinalChemistry,2009,vol.52,p.6257-6269

[18]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.4196-4200

[19]JournalofMedicinalChemistry,2010,vol.53,p.4701-4719

[20]Patent:WO2006/44823,2006,A2.Locationinpatent:Page/Pagecolumn92;95-96;203-204

[21]Patent:US2007/54916,2007,A1.Locationinpatent:Page/Pagecolumn36

[22]Patent:US2007/54916,2007,A1.Locationinpatent:Page/Pagecolumn51

[23]Patent:US2007/72862,2007,A1.Locationinpatent:Page/Pagecolumn76

[24]Patent:WO2004/10995,2004,A1.Locationinpatent:Page/Pagecolumn28

[25]Patent:WO2010/96395,2010,A1.Locationinpatent:Page/Pagecolumn35;36

[26]Patent:EP2594567,2013,A1.Locationinpatent:Paragraph0050;0051

[27]Patent:US2013/196985,2013,A1.Locationinpatent:Paragraph0125;0129-0131

[28]Patent:US2014/343282,2014,A1.Locationinpatent:Paragraph0074;0078

[29]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3458-3463

[30]JournalofOrganicChemistry,2015,vol.80,p.12234-12243

[31]Patent:WO2015/186137,2015,A1.Locationinpatent:Page/Pagecolumn30

[32]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132

[33]JournalofMedicinalChemistry,2016,vol.59,p.9788-9805

[34]Patent:WO2016/201203,2016,A1.Locationinpatent:Page/Pagecolumn14;15

[35]Patent:US2016/355523,2016,A1.Locationinpatent:Paragraph0252-0253

[36]Patent:EP3133069,2017,A1.Locationinpatent:Paragraph0048

[37]Patent:CN103664951,2016,B.Locationinpatent:Paragraph0045;0046

[38]Patent:CN106883235,2017,A.Locationinpatent:Paragraph0066;0067;0068

[39]Patent:WO2018/112136,2018,A1.Locationinpatent:Page/Pagecolumn00259

[40]ACSMedicinalChemistryLetters,2020,vol.11,p.491-496

1192-34-3    52107-98-9    213594-71-9 

[1]El-Moselhy,TarekF.;El-Kersh,MohamedA.;Nyberg,Fred;Hede,Ragnar;Eldawy,MohamedA.[MedicinalChemistryResearch,1998,vol.8,#3,p.163-170]

32202-61-2    52107-98-9    913067-79-5 

[1]JournalofMedicinalChemistry,2006,vol.49,p.5671-5686

1496-40-8    52107-98-9    926036-42-2 

[1]JournalofMedicinalChemistry,2007,vol.50,p.627-640

694499-26-8    52107-98-9   
3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide 

[1]JournalofMedicinalChemistry,2013,vol.56,p.3033-3047

[2]Patent:WO2015/106292,2015,A1.Locationinpatent:Paragraph00605;00606;00607

[3]JournalofMedicinalChemistry,2010,vol.53,p.4701-4719

[4]Patent:WO2007/75869,2007,A2.Locationinpatent:Page/Pagecolumn54

[5]Patent:WO2013/162727,2013,A1.Locationinpatent:Page/Pagecolumn57

[6]Patent:US2015/152088,2015,A1.Locationinpatent:Paragraph0109;0110

[7]Patent:EP2896620,2015,A1.Locationinpatent:Paragraph0049;0050

[8]Patent:EP2927232,2015,A1.Locationinpatent:Paragraph0069

[9]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132

[10]Patent:TWI523856,2016,B.Locationinpatent:Paragraph0061

[11]Patent:CN103664951,2016,B.Locationinpatent:Paragraph0045;0046

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