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96450-55-4,MFCD00607988
Catalog No.:AA006QOP

96450-55-4 | 1-(2-Chloroethyl)-3-methyl-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006QOP
Chemical Name:
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CAS Number:
96450-55-4
Molecular Formula:
C6H9ClN2
Molecular Weight:
144.6021
MDL Number:
MFCD00607988
SMILES:
Cc1ccn(n1)CCCl
Properties
Computed Properties
 
Complexity:
87.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Synonyms
 
  
Downstream Synthesis Route

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

1453-58-3    107-06-2   
1-(β-chloroethyl)-5-methylpyrazole 
  96450-55-4 

[1]Attarian;Matsoyan;Martirosyan[ChemistryofHeterocyclicCompounds,2005,vol.41,#4,p.452-455]

[2]Hasratyan,AniH.;Alexanyan,AshkharuhiG.;Khachatryan,HasmikN.;Zakaryan,GeghetsikB.;Hayotsyan,SargisS.;Danagulyan,GevorgG.;Attaryan,HovhannesS.[ChemistryofHeterocyclicCompounds,2018,vol.54,#7,p.751-754][Khim.Geterotsikl.Soedin.,2018,vol.54,#7,p.751-754,4]

[1]CurrentPatentAssignee:SEQUOIAPHARMACEUTICALS,INC.-WO2009/105774,2009,A2Locationinpatent:Page/Pagecolumn71-72

[1]Rstakyan;Akopyan;Baltayan;Attaryan;Asratyan[RussianJournalofGeneralChemistry,2015,vol.85,#5,p.1191-1193][Zh.Obshch.Khim.,2015,vol.85,#5,p.862-864]

Literature
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SDS
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Tags:96450-55-4 Molecular Formula|96450-55-4 MDL|96450-55-4 SMILES|96450-55-4 1-(2-Chloroethyl)-3-methyl-1H-pyrazole
Catalog No.: AA006QOP
96450-55-4,MFCD00607988
96450-55-4 | 1-(2-Chloroethyl)-3-methyl-1H-pyrazole
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA006QOP
Chemical Name: 1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CAS Number: 96450-55-4
Molecular Formula: C6H9ClN2
Molecular Weight: 144.6021
MDL Number: MFCD00607988
SMILES: Cc1ccn(n1)CCCl
Properties
Complexity: 87.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
22:   
Downstream Synthesis Route
1453-58-3    107-04-0    96450-55-4 

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

96450-55-4    72996-78-2    131758-45-7 

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

1453-58-3    107-06-2   
1-(β-chloroethyl)-5-methylpyrazole 
  96450-55-4 

[1]Attarian;Matsoyan;Martirosyan[ChemistryofHeterocyclicCompounds,2005,vol.41,#4,p.452-455]

[2]Hasratyan,AniH.;Alexanyan,AshkharuhiG.;Khachatryan,HasmikN.;Zakaryan,GeghetsikB.;Hayotsyan,SargisS.;Danagulyan,GevorgG.;Attaryan,HovhannesS.[ChemistryofHeterocyclicCompounds,2018,vol.54,#7,p.751-754][Khim.Geterotsikl.Soedin.,2018,vol.54,#7,p.751-754,4]

1184869-95-1    96450-55-4    1184868-60-7 

[1]CurrentPatentAssignee:SEQUOIAPHARMACEUTICALS,INC.-WO2009/105774,2009,A2Locationinpatent:Page/Pagecolumn71-72

35000-51-2    96450-55-4 

[1]Rstakyan;Akopyan;Baltayan;Attaryan;Asratyan[RussianJournalofGeneralChemistry,2015,vol.85,#5,p.1191-1193][Zh.Obshch.Khim.,2015,vol.85,#5,p.862-864]

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