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84547-85-3,MFCD01821187
Catalog No.:AA008HKB

84547-85-3 | 4-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$20.00   $14.00
- +
1g
95%
in stock  
$74.00   $52.00
- +
5g
98%
in stock  
$321.00   $225.00
- +
10g
98%
in stock  
$583.00   $408.00
- +
25g
98%
in stock  
$1,400.00 $980.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008HKB
Chemical Name:
4-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
84547-85-3
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD01821187
SMILES:
Cn1cc(c(n1)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Manaev,Yu.A.;Andreeva,M.A.;Perevalov,V.P.;Stepanov,B.I.;Dubrovskaya,V.A.;Seraya,V.I.[JournalofgeneralchemistryoftheUSSR,1982,vol.52,#11,p.2291-2296][ZhurnalObshcheiKhimii,1982,vol.52,#11,p.2592-2598]

[1]Manaev,Yu.A.;Andreeva,M.A.;Perevalov,V.P.;Stepanov,B.I.;Dubrovskaya,V.A.;Seraya,V.I.[JournalofgeneralchemistryoftheUSSR,1982,vol.52,#11,p.2291-2296][ZhurnalObshcheiKhimii,1982,vol.52,#11,p.2592-2598]

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

[2]RussianChemicalBulletin,2009,vol.58,p.291-296

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2009/137595,2009,A1

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:84547-85-3 Molecular Formula|84547-85-3 MDL|84547-85-3 SMILES|84547-85-3 4-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
Catalog No.: AA008HKB
84547-85-3,MFCD01821187
84547-85-3 | 4-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
Pack Size： 250mg
Purity： 98%
in stock
$20.00 $14.00
Pack Size： 1g
Purity： 95%
in stock
$74.00 $52.00
Pack Size： 5g
Purity： 98%
in stock
$321.00 $225.00
Pack Size： 10g
Purity： 98%
in stock
$583.00 $408.00
Pack Size： 25g
Purity： 98%
in stock
$1,400.00 $980.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008HKB
Chemical Name: 4-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number: 84547-85-3
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.5584
MDL Number: MFCD01821187
SMILES: Cn1cc(c(n1)C(=O)O)Cl
Properties
Complexity: 153  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
15878-44-1    84547-85-3 

[1]Manaev,Yu.A.;Andreeva,M.A.;Perevalov,V.P.;Stepanov,B.I.;Dubrovskaya,V.A.;Seraya,V.I.[JournalofgeneralchemistryoftheUSSR,1982,vol.52,#11,p.2291-2296][ZhurnalObshcheiKhimii,1982,vol.52,#11,p.2592-2598]

84547-85-3    84547-90-0 

[1]Manaev,Yu.A.;Andreeva,M.A.;Perevalov,V.P.;Stepanov,B.I.;Dubrovskaya,V.A.;Seraya,V.I.[JournalofgeneralchemistryoftheUSSR,1982,vol.52,#11,p.2291-2296][ZhurnalObshcheiKhimii,1982,vol.52,#11,p.2592-2598]

25016-20-0    84547-85-3 

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

[2]RussianChemicalBulletin,2009,vol.58,p.291-296

694-48-4    84547-85-3 

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

79-37-8    1005781-39-4    84547-85-3    1005785-54-5 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2009/137595,2009,A1

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