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78703-53-4,MFCD00464005
Catalog No.:AA003641

78703-53-4 | 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$7.00   $5.00
- +
250mg
97%
in stock  
$16.00   $11.00
- +
1g
95%
in stock  
$49.00   $35.00
- +
100g
95%
in stock  
$3,045.00   $2,132.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003641
Chemical Name:
1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
78703-53-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00464005
SMILES:
Cn1nc(c(c1)C(=O)O)C
Properties
Properties
 
BP:
299.2 °C at 760 mmHg  
Form:
Solid  
MP:
181 - 183°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.2  

Upstream Synthesis Route

[1]RussianJournalofGeneralChemistry,2007,vol.77,#2,p.307-308

[1]JournalofHeterocyclicChemistry,2018,vol.55,#4,p.946-950

[2]Molecules,2015,vol.20,#3,p.4383-4394

[3]Patent:CN107033082,2017,A,.Locationinpatent:Paragraph0015;0016;0028

[4]Patent:CN107033084,2017,A,.Locationinpatent:Paragraph0029

[5]Patent:CN106632044,2017,A,.Locationinpatent:Paragraph0014

[6]Patent:CN108117520,2018,A,.Locationinpatent:Paragraph0030;0033;0034

[7]Patent:EP1176140,2002,A1,.Locationinpatent:Page45

[1]AustralianJournalofChemistry,1983,vol.36,#1,p.135-147

[1]TetrahedronLetters,2009,vol.50,#6,p.696-699

[1]BulletinoftheAcademyofSciencesoftheUSSR,DivisionofChemicalScience(EnglishTranslation),1981,vol.30,#4,p.683-685

[2]IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1981,#4,p.902-904

Downstream Synthesis Route

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1981,vol.30,p.683-685    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1981,p.902-904

[1]AustralianJournalofChemistry,1983,vol.36,p.135-147

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,p.1901-1905    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,vol.39,p.2089-2093

[2]Patent:CN107033084,2017,A

[1]AustralianJournalofChemistry,1983,vol.36,p.135-147

[2]Molecules,2015,vol.20,p.4383-4394

[3]Patent:CN105636955,2016,A.Locationinpatent:Paragraph0649;0650

[4]Patent:CN107033082,2017,A.Locationinpatent:Paragraph0016;0028

[5]Patent:CN107033084,2017,A.Locationinpatent:Paragraph0029

[6]Patent:CN106632044,2017,A.Locationinpatent:Paragraph0015

[7]JournalofHeterocyclicChemistry,2018,vol.55,p.946-950

[8]Patent:CN108117520,2018,A.Locationinpatent:Paragraph0030;0035;0036

[9]Patent:CN110615765,2019,A.Locationinpatent:Paragraph0140;0147

[1]AustralianJournalofChemistry,1983,vol.36,p.135-147

Literature
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SDS
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