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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
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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
Quotation Request
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SDS
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Tags:3816-66-8 Molecular Formula|3816-66-8 MDL|3816-66-8 SMILES|3816-66-8 3-Hydroxy-4-methylbenzonitrile
Catalog No.: AA00C74S
3816-66-8,MFCD08361769
3816-66-8 | 3-Hydroxy-4-methylbenzonitrile
Pack Size： 1g
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 5g
Purity： 97%
in stock
$16.00 $11.00
Pack Size： 10g
Purity： 97%
in stock
$28.00 $20.00
Pack Size： 25g
Purity： 97%
in stock
$43.00 $30.00
Pack Size： 100g
Purity： 97%
in stock
$165.00 $116.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
BP: 276.9±28.0℃ (760 Torr)  
Form: Solid  
MP: 125℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 158  
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Upstream Synthesis Route
1188374-87-9    3816-66-8 

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

60710-80-7    3816-66-8 

[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,

2362-12-1    3816-66-8 

[1]Patent:US6046212,2000,A,

42872-74-2    3816-66-8 

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

939-79-7    3816-66-8 

[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
7577-74-4    151-50-8    3816-66-8 

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

3816-66-8    586-30-1 

[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

60710-80-7    3816-66-8 

[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

3816-66-8    92705-79-8 

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

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