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3816-66-8,MFCD08361769
Catalog No.:AA00C74S

3816-66-8 | 3-Hydroxy-4-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$16.00   $11.00
- +
10g
97%
in stock  
$28.00   $20.00
- +
25g
97%
in stock  
$43.00   $30.00
- +
100g
97%
in stock  
$165.00   $116.00
- +
  • 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:
AA00C74S
Chemical Name:
3-Hydroxy-4-methylbenzonitrile
CAS Number:
3816-66-8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD08361769
SMILES:
N#Cc1ccc(c(c1)O)C
Properties
Properties
 
BP:
276.9±28.0℃ (760 Torr)  
Form:
Solid  
MP:
125℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.7  

Upstream Synthesis Route

[1]Patent:US2009/239810,2009,A1,.Locationinpatent:Page/Pagecolumn68

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#8,p.1203-1208

[2]ChemischeBerichte,1903,vol.36,p.4359

[3]ChemischeBerichte,1904,vol.37,p.1845

[4]Patent:US5932567,1999,A,

[1]Patent:US6046212,2000,A,

[1]AdvancedSynthesisandCatalysis,2013,vol.355,#5,p.981-987

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#8,p.1203-1208

[2]ChemischeBerichte,1903,vol.36,p.4359

[3]ChemischeBerichte,1904,vol.37,p.1845

Downstream Synthesis Route

[1]MonatsheftefurChemie,1957,vol.88,p.228,231,232

[1]ChemischeBerichte,1903,vol.36,p.4359    ChemischeBerichte,1904,vol.37,p.1845

[2]JournaloftheChemicalSociety,1953,p.1285,1287

3816-66-8    873999-89-4   
3-hydroxy-4-methyl-2-nitro-benzonitrile 

[1]JournaloftheChemicalSociety,1953,p.3646

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.1203-1208

[2]ChemischeBerichte,1903,vol.36,p.4359    ChemischeBerichte,1904,vol.37,p.1845

[3]Patent:US5932567,1999,A

[1]MonatsheftefurChemie,1963,vol.94,p.1262-1270

Literature
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SDS
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