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5955-73-7,MFCD06658474
Catalog No.:AA00E9NP

5955-73-7 | 2-Methylbenzoyl cyanide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$197.00   $138.00
- +
250mg
≥ 98% (NMR)
in stock  
$202.00   $141.00
- +
1g
≥ 98% (NMR)
in stock  
$418.00   $293.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00E9NP
Chemical Name:
2-Methylbenzoyl cyanide
CAS Number:
5955-73-7
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD06658474
SMILES:
N#CC(=O)c1ccccc1C
Properties
Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route
5955-73-7    19481-82-4   
2-methyl-3-oxo-3-o-tolyl-propionitrile 

[1]Yoo,ByungWoo;Hwang,SunKyun;Kim,DongYoon;Choi,JinWoo;Ko,JaeJung;Choi,KyungIl;Kim,JoongHyup[TetrahedronLetters,2002,vol.43,#27,p.4813-4816]

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.3026-3029

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:5955-73-7 Molecular Formula|5955-73-7 MDL|5955-73-7 SMILES|5955-73-7 2-Methylbenzoyl cyanide
Catalog No.: AA00E9NP
5955-73-7,MFCD06658474
5955-73-7 | 2-Methylbenzoyl cyanide
Pack Size： 100mg
Purity： 95%
in stock
$197.00 $138.00
Pack Size： 250mg
Purity： ≥ 98% (NMR)
in stock
$202.00 $141.00
Pack Size： 1g
Purity： ≥ 98% (NMR)
in stock
$418.00 $293.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00E9NP
Chemical Name: 2-Methylbenzoyl cyanide
CAS Number: 5955-73-7
Molecular Formula: C9H7NO
Molecular Weight: 145.1580
MDL Number: MFCD06658474
SMILES: N#CC(=O)c1ccccc1C
Properties
Complexity: 201  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
5955-73-7    19481-82-4   
2-methyl-3-oxo-3-o-tolyl-propionitrile 

[1]Yoo,ByungWoo;Hwang,SunKyun;Kim,DongYoon;Choi,JinWoo;Ko,JaeJung;Choi,KyungIl;Kim,JoongHyup[TetrahedronLetters,2002,vol.43,#27,p.4813-4816]

5955-73-7    120974-97-2    144106-03-6 

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.3026-3029

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