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4533-95-3,MFCD00129813
Catalog No.:AA00I8FH

4533-95-3 | 2-Chloro-5-nitrobenzenesulfonyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$6.00   $4.00
- +
250mg
95%
in stock  
$7.00   $5.00
- +
1g
95%
in stock  
$10.00   $7.00
- +
5g
95%
in stock  
$33.00   $23.00
- +
10g
95%
in stock  
$60.00   $42.00
- +
25g
95%
in stock  
$149.00   $105.00
- +
100g
98%
in stock  
$583.00 $408.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I8FH
Chemical Name:
2-Chloro-5-nitrobenzenesulfonyl chloride
CAS Number:
4533-95-3
Molecular Formula:
C6H3Cl2NO4S
Molecular Weight:
256.0633
MDL Number:
MFCD00129813
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)Cl)Cl
NSC Number:
350627
Properties
Properties
 
BP:
371.6°C at 760 mmHg  
Form:
Solid  
MP:
88-90 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
320  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:WO2010/123960,2010,A2,.Locationinpatent:Page/Pagecolumn104-105

[2]Patent:WO2010/123956,2010,A2,.Locationinpatent:Page/Pagecolumn106-107

[3]JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,p.478-481

[4]ZhurnalOrganicheskoiKhimii,1968,vol.4,#3,p.490-493

[5]JournalofPharmacyandPharmacology,2001,vol.53,#5,p.669-680

[6]JournalofMedicinalChemistry,2006,vol.49,#12,p.3701-3709

[7]JournalofMedicinalChemistry,2007,vol.50,#16,p.3928-3936

[8]Patent:US6818765,2004,B1,.Locationinpatent:Pagecolumn3-4;5-7

[9]Patent:WO2010/123959,2010,A2,.Locationinpatent:Page/Pagecolumn57

[10]Patent:WO2013/156861,2013,A2,.Locationinpatent:Page/Pagecolumn18;19

[11]Patent:US2016/102051,2016,A1,.Locationinpatent:Paragraph0069-0070

[12]ChineseJournalofChemistry,2016,vol.34,#11,p.1135-1142

[1]Synthesis,1982,#5,p.423-424

[2]Synthesis,1982,#5,p.423-424

[3]Patent:US2011/152246,2011,A1,.Locationinpatent:Page/Pagecolumn293

[4]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,#7,p.2010-2017

[1]BioorganicandMedicinalChemistryLetters,2016,vol.26,#1,p.133-139

[2]Patent:WO2016/22460,2016,A1,.Locationinpatent:Page/Pagecolumn132

[3]Patent:WO2017/66428,2017,A1,.Locationinpatent:Page/Pagecolumn244

[4]MonatsheftefuerChemie,1930,vol.55,p.358,373

[5]JournaloftheAmericanChemicalSociety,1943,vol.65,p.738

[6]BulletinoftheChemicalSocietyofJapan,1990,vol.63,#7,p.2010-2017

[7]Patent:US2008/275023,2008,A1,.Locationinpatent:Page/Pagecolumn7

[8]Patent:WO2006/97449,2006,A1,.Locationinpatent:Page/Pagecolumn19

[9]Patent:US2011/152246,2011,A1,

[10]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[11]Patent:WO2013/156861,2013,A2,

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4350-4353

[2]Patent:US2005/107364,2005,A1,.Locationinpatent:Page/Pagecolumn75

[3]Patent:US2009/62263,2009,A1,.Locationinpatent:Page/Pagecolumn19-20

[4]JournalofMedicinalChemistry,2008,vol.51,#19,p.6173-6187

[5]Patent:WO2005/19191,2005,A2,.Locationinpatent:Page/Pagecolumn151

[6]Patent:WO2010/42834,2010,A1,.Locationinpatent:Page/Pagecolumn34-35

[7]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[8]Patent:WO2008/124450,2008,A1,.Locationinpatent:Page/Pagecolumn68-69

[9]Patent:WO2013/156861,2013,A2,.Locationinpatent:Page/Pagecolumn34;35

[10]Patent:CN106366025,2017,A,.Locationinpatent:Paragraph0031

[11]Patent:CN106432010,2017,A,.Locationinpatent:Paragraph0029;0031

[12]Patent:CN106349127,2017,A,.Locationinpatent:Paragraph0038;0039;0040

[13]Patent:WO2007/150001,2007,A1,.Locationinpatent:Page/Pagecolumn112

[14]Patent:WO2008/73987,2008,A1,.Locationinpatent:Page/Pagecolumn50

[15]Patent:US2008/227774,2008,A1,.Locationinpatent:Page/Pagecolumn23

[1]MonatsheftefuerChemie,1930,vol.55,p.358,373

[2]JournaloftheAmericanChemicalSociety,1943,vol.65,p.738

[3]Patent:WO2007/150001,2007,A1,.Locationinpatent:Page/Pagecolumn54;112

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.133-139

[2]Patent:WO2016/22460,2016,A1.Locationinpatent:Page/Pagecolumn132

[3]Patent:WO2017/66428,2017,A1.Locationinpatent:Page/Pagecolumn244

[4]MonatsheftefurChemie,1930,vol.55,p.358,373

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

[6]Patent:US2008/275023,2008,A1.Locationinpatent:Page/Pagecolumn7

[7]Patent:WO2006/97449,2006,A1.Locationinpatent:Page/Pagecolumn19

[8]Patent:US2011/152246,2011,A1

[9]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[10]Patent:WO2013/156861,2013,A2

[11]Tetrahedron,2019,vol.75,p.3917-3922

[12]JournalofMedicinalChemistry,2020,vol.63,p.2894-2914

[1]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[2]Patent:US2011/152246,2011,A1.Locationinpatent:Page/Pagecolumn293

[3]Patent:US2005/107364,2005,A1.Locationinpatent:Page/Pagecolumn75

[4]Patent:WO2005/19191,2005,A2.Locationinpatent:Page/Pagecolumn151

[5]JournalofPharmacyandPharmacology,2001,vol.53,p.669-680

[6]Patent:US2016/102051,2016,A1.Locationinpatent:Paragraph0069-0070

[7]Patent:WO2008/73987,2008,A1.Locationinpatent:Page/Pagecolumn50

[8]JustusLiebigsAnnalenderChemie,1891,vol.265,p.92

[9]JournalofMedicinalChemistry,2006,vol.49,p.3701-3709

[10]JournalofMedicinalChemistry,2007,vol.50,p.3928-3936

[11]Patent:US2009/62263,2009,A1.Locationinpatent:Page/Pagecolumn19-20

[12]Patent:US6818765,2004,B1.Locationinpatent:Pagecolumn3-4;5-7

[13]Patent:WO2010/42834,2010,A1.Locationinpatent:Page/Pagecolumn34-35

[14]Patent:WO2008/124450,2008,A1.Locationinpatent:Page/Pagecolumn68-69

[15]Patent:WO2013/156861,2013,A2.Locationinpatent:Page/Pagecolumn18;19

[16]ChineseJournalofChemistry,2016,vol.34,p.1135-1142

[17]Patent:WO2016/198374,2016,A1.Locationinpatent:Page/Pagecolumn107

[18]Patent:WO2007/150001,2007,A1.Locationinpatent:Page/Pagecolumn112

[19]Patent:WO2007/150001,2007,A1.Locationinpatent:Page/Pagecolumn54;112

[20]Patent:US2008/227774,2008,A1.Locationinpatent:Page/Pagecolumn23

[21]JournalofAgriculturalandFoodChemistry,2020,vol.68,p.3017-3025

[1]Patent:US2014/315898,2014,A1.Locationinpatent:Paragraph0445-0447

[2]Patent:US2015/344499,2015,A1.Locationinpatent:Paragraph1009;1010;1011

[3]JournalofFluorineChemistry,2001,vol.112,p.287-295

[4]RussianChemicalBulletin,2004,vol.53,p.420-434

[5]DokladyAkademiiNaukSSSR,1955,vol.103,p.627,629    Chem.Abstr.,1956,vol.50

[6]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1957,vol.77,p.963    Chem.Abstr.,1958,p.2792

[7]JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,p.478-481    ZhurnalOrganicheskoiKhimii,1968,vol.4,p.490-493

[8]JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.181-182    ZhurnalOrganicheskoiKhimii,1984,vol.20,p.202-203

[9]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.133-139

[1]Synthesis,1982,p.423-424

[2]Synthesis,1982,p.423-424

[3]Patent:US2011/152246,2011,A1.Locationinpatent:Page/Pagecolumn293

[4]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

[1]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

[2]JournalofFluorineChemistry,1991,vol.55,p.335-337

Literature
Quotation Request
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Tags:4533-95-3 Molecular Formula|4533-95-3 MDL|4533-95-3 SMILES|4533-95-3 2-Chloro-5-nitrobenzenesulfonyl chloride
Catalog No.: AA00I8FH
4533-95-3,MFCD00129813
4533-95-3 | 2-Chloro-5-nitrobenzenesulfonyl chloride
Pack Size： 100mg
Purity： 95%
in stock
$6.00 $4.00
Pack Size： 250mg
Purity： 95%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 95%
in stock
$10.00 $7.00
Pack Size： 5g
Purity： 95%
in stock
$33.00 $23.00
Pack Size： 10g
Purity： 95%
in stock
$60.00 $42.00
Pack Size： 25g
Purity： 95%
in stock
$149.00 $105.00
Pack Size： 100g
Purity： 98%
in stock
$583.00 $408.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I8FH
Chemical Name: 2-Chloro-5-nitrobenzenesulfonyl chloride
CAS Number: 4533-95-3
Molecular Formula: C6H3Cl2NO4S
Molecular Weight: 256.0633
MDL Number: MFCD00129813
SMILES: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)Cl)Cl
NSC Number: 350627
Properties
BP: 371.6°C at 760 mmHg  
Form: Solid  
MP: 88-90 °C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 320  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
6283-25-6    4533-95-3 

[1]Patent:WO2010/123960,2010,A2,.Locationinpatent:Page/Pagecolumn104-105

[2]Patent:WO2010/123956,2010,A2,.Locationinpatent:Page/Pagecolumn106-107

[3]JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,p.478-481

[4]ZhurnalOrganicheskoiKhimii,1968,vol.4,#3,p.490-493

[5]JournalofPharmacyandPharmacology,2001,vol.53,#5,p.669-680

[6]JournalofMedicinalChemistry,2006,vol.49,#12,p.3701-3709

[7]JournalofMedicinalChemistry,2007,vol.50,#16,p.3928-3936

[8]Patent:US6818765,2004,B1,.Locationinpatent:Pagecolumn3-4;5-7

[9]Patent:WO2010/123959,2010,A2,.Locationinpatent:Page/Pagecolumn57

[10]Patent:WO2013/156861,2013,A2,.Locationinpatent:Page/Pagecolumn18;19

[11]Patent:US2016/102051,2016,A1,.Locationinpatent:Paragraph0069-0070

[12]ChineseJournalofChemistry,2016,vol.34,#11,p.1135-1142

946-30-5    4533-95-3 

[1]Synthesis,1982,#5,p.423-424

[2]Synthesis,1982,#5,p.423-424

[3]Patent:US2011/152246,2011,A1,.Locationinpatent:Page/Pagecolumn293

[4]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,#7,p.2010-2017

100-00-5    4533-95-3 

[1]BioorganicandMedicinalChemistryLetters,2016,vol.26,#1,p.133-139

[2]Patent:WO2016/22460,2016,A1,.Locationinpatent:Page/Pagecolumn132

[3]Patent:WO2017/66428,2017,A1,.Locationinpatent:Page/Pagecolumn244

[4]MonatsheftefuerChemie,1930,vol.55,p.358,373

[5]JournaloftheAmericanChemicalSociety,1943,vol.65,p.738

[6]BulletinoftheChemicalSocietyofJapan,1990,vol.63,#7,p.2010-2017

[7]Patent:US2008/275023,2008,A1,.Locationinpatent:Page/Pagecolumn7

[8]Patent:WO2006/97449,2006,A1,.Locationinpatent:Page/Pagecolumn19

[9]Patent:US2011/152246,2011,A1,

[10]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[11]Patent:WO2013/156861,2013,A2,

96-73-1    4533-95-3 

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4350-4353

[2]Patent:US2005/107364,2005,A1,.Locationinpatent:Page/Pagecolumn75

[3]Patent:US2009/62263,2009,A1,.Locationinpatent:Page/Pagecolumn19-20

[4]JournalofMedicinalChemistry,2008,vol.51,#19,p.6173-6187

[5]Patent:WO2005/19191,2005,A2,.Locationinpatent:Page/Pagecolumn151

[6]Patent:WO2010/42834,2010,A1,.Locationinpatent:Page/Pagecolumn34-35

[7]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[8]Patent:WO2008/124450,2008,A1,.Locationinpatent:Page/Pagecolumn68-69

[9]Patent:WO2013/156861,2013,A2,.Locationinpatent:Page/Pagecolumn34;35

[10]Patent:CN106366025,2017,A,.Locationinpatent:Paragraph0031

[11]Patent:CN106432010,2017,A,.Locationinpatent:Paragraph0029;0031

[12]Patent:CN106349127,2017,A,.Locationinpatent:Paragraph0038;0039;0040

[13]Patent:WO2007/150001,2007,A1,.Locationinpatent:Page/Pagecolumn112

[14]Patent:WO2008/73987,2008,A1,.Locationinpatent:Page/Pagecolumn50

[15]Patent:US2008/227774,2008,A1,.Locationinpatent:Page/Pagecolumn23

7790-94-5    100-00-5    4533-95-3 

[1]MonatsheftefuerChemie,1930,vol.55,p.358,373

[2]JournaloftheAmericanChemicalSociety,1943,vol.65,p.738

[3]Patent:WO2007/150001,2007,A1,.Locationinpatent:Page/Pagecolumn54;112

Downstream Synthesis Route
100-00-5    4533-95-3 

[1]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.133-139

[2]Patent:WO2016/22460,2016,A1.Locationinpatent:Page/Pagecolumn132

[3]Patent:WO2017/66428,2017,A1.Locationinpatent:Page/Pagecolumn244

[4]MonatsheftefurChemie,1930,vol.55,p.358,373

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

[6]Patent:US2008/275023,2008,A1.Locationinpatent:Page/Pagecolumn7

[7]Patent:WO2006/97449,2006,A1.Locationinpatent:Page/Pagecolumn19

[8]Patent:US2011/152246,2011,A1

[9]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[10]Patent:WO2013/156861,2013,A2

[11]Tetrahedron,2019,vol.75,p.3917-3922

[12]JournalofMedicinalChemistry,2020,vol.63,p.2894-2914

4533-95-3    96-72-0 

[1]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[2]Patent:US2011/152246,2011,A1.Locationinpatent:Page/Pagecolumn293

[3]Patent:US2005/107364,2005,A1.Locationinpatent:Page/Pagecolumn75

[4]Patent:WO2005/19191,2005,A2.Locationinpatent:Page/Pagecolumn151

[5]JournalofPharmacyandPharmacology,2001,vol.53,p.669-680

[6]Patent:US2016/102051,2016,A1.Locationinpatent:Paragraph0069-0070

[7]Patent:WO2008/73987,2008,A1.Locationinpatent:Page/Pagecolumn50

[8]JustusLiebigsAnnalenderChemie,1891,vol.265,p.92

[9]JournalofMedicinalChemistry,2006,vol.49,p.3701-3709

[10]JournalofMedicinalChemistry,2007,vol.50,p.3928-3936

[11]Patent:US2009/62263,2009,A1.Locationinpatent:Page/Pagecolumn19-20

[12]Patent:US6818765,2004,B1.Locationinpatent:Pagecolumn3-4;5-7

[13]Patent:WO2010/42834,2010,A1.Locationinpatent:Page/Pagecolumn34-35

[14]Patent:WO2008/124450,2008,A1.Locationinpatent:Page/Pagecolumn68-69

[15]Patent:WO2013/156861,2013,A2.Locationinpatent:Page/Pagecolumn18;19

[16]ChineseJournalofChemistry,2016,vol.34,p.1135-1142

[17]Patent:WO2016/198374,2016,A1.Locationinpatent:Page/Pagecolumn107

[18]Patent:WO2007/150001,2007,A1.Locationinpatent:Page/Pagecolumn112

[19]Patent:WO2007/150001,2007,A1.Locationinpatent:Page/Pagecolumn54;112

[20]Patent:US2008/227774,2008,A1.Locationinpatent:Page/Pagecolumn23

[21]JournalofAgriculturalandFoodChemistry,2020,vol.68,p.3017-3025

4533-95-3    20201-05-2 

[1]Patent:US2014/315898,2014,A1.Locationinpatent:Paragraph0445-0447

[2]Patent:US2015/344499,2015,A1.Locationinpatent:Paragraph1009;1010;1011

[3]JournalofFluorineChemistry,2001,vol.112,p.287-295

[4]RussianChemicalBulletin,2004,vol.53,p.420-434

[5]DokladyAkademiiNaukSSSR,1955,vol.103,p.627,629    Chem.Abstr.,1956,vol.50

[6]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1957,vol.77,p.963    Chem.Abstr.,1958,p.2792

[7]JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,p.478-481    ZhurnalOrganicheskoiKhimii,1968,vol.4,p.490-493

[8]JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.181-182    ZhurnalOrganicheskoiKhimii,1984,vol.20,p.202-203

[9]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.133-139

946-30-5    4533-95-3 

[1]Synthesis,1982,p.423-424

[2]Synthesis,1982,p.423-424

[3]Patent:US2011/152246,2011,A1.Locationinpatent:Page/Pagecolumn293

[4]EuropeanJournalofMedicinalChemistry,2012,vol.50,p.18-26

[5]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

4533-95-3    115561-03-0 

[1]BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2010-2017

[2]JournalofFluorineChemistry,1991,vol.55,p.335-337

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