Home Aldehydes 112758-40-4
112758-40-4,MFCD01313822
Catalog No.:AA003JLW

112758-40-4 | 3-Methyl-1H-pyrazole-4-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$12.00   $8.00
- +
5g
95%
in stock  
$41.00   $29.00
- +
10g
95%
in stock  
$73.00   $51.00
- +
100g
98%
in stock  
$685.00   $479.00
- +
  • 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:
AA003JLW
Chemical Name:
3-Methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
112758-40-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD01313822
SMILES:
Cc1n[nH]cc1C=O
Properties
Properties
 
BP:
295.9°C at 760 mmHg  
Form:
Solid  
MP:
107-108.5°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
94.4  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.1  

Upstream Synthesis Route

[1]Patent:WO2009/144554,2009,A1,.Locationinpatent:Page/Pagecolumn37

[2]Synthesis,1997,#10,p.1140-1142

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2016,vol.55B,#4,p.507-516

[1]RussianJournalofGeneralChemistry,2014,vol.84,#4,p.793-795

[2]Zh.Obshch.Khim.,2014,vol.84,#4,p.793-795,3

[1]Patent:WO2013/109882,2013,A1,.Locationinpatent:Page/Pagecolumn55

[2]Patent:US2015/111883,2015,A1,.Locationinpatent:Paragraph0218;0219

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#20,p.4441-4446

Downstream Synthesis Route

[1]PharmaceuticalChemistryJournal,1987,vol.21,p.581-587    Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,p.959-965

[1]PharmaceuticalChemistryJournal,1987,vol.21,p.581-587    Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,p.959-965

[1]PharmaceuticalChemistryJournal,1987,vol.21,p.581-587    Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,p.959-965

[1]PharmaceuticalChemistryJournal,1987,vol.21,p.581-587    Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,p.959-965

[1]PharmaceuticalChemistryJournal,1987,vol.21,p.581-587    Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,p.959-965

Literature
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SDS
Tags:112758-40-4 Molecular Formula|112758-40-4 MDL|112758-40-4 SMILES|112758-40-4 3-Methyl-1H-pyrazole-4-carbaldehyde |Organic_Building_Blocks