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5955-74-8,MFCD06658475
Catalog No.:AA00E9OD

5955-74-8 | 3-Methylbenzoyl cyanide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$170.00   $119.00
- +
1g
95%
in stock  
$336.00   $235.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00E9OD
Chemical Name:
3-Methylbenzoyl cyanide
CAS Number:
5955-74-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD06658475
SMILES:
CC1=CC=CC(=C1)C(=O)C#N
Properties
Properties
 
BP:
243.0±19.0°C at 760 mmHg  
Form:
Solid  
MP:
30℃  

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:
2.4  

Upstream Synthesis Route

[1]Patent:US6359156,2002,B1,.Locationinpatent:Pagecolumn10

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:5955-74-8 Molecular Formula|5955-74-8 MDL|5955-74-8 SMILES|5955-74-8 3-Methylbenzoyl cyanide
Catalog No.: AA00E9OD
5955-74-8,MFCD06658475
5955-74-8 | 3-Methylbenzoyl cyanide
Pack Size： 250mg
Purity： 95%
in stock
$170.00 $119.00
Pack Size： 1g
Purity： 95%
in stock
$336.00 $235.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00E9OD
Chemical Name: 3-Methylbenzoyl cyanide
CAS Number: 5955-74-8
Molecular Formula: C9H7NO
Molecular Weight: 145.1580
MDL Number: MFCD06658475
SMILES: CC1=CC=CC(=C1)C(=O)C#N
Properties
BP: 243.0±19.0°C at 760 mmHg  
Form: Solid  
MP: 30℃  
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: 2.4  
Upstream Synthesis Route
393-52-2    1711-06-4    80277-41-4    5955-74-8 

[1]Patent:US6359156,2002,B1,.Locationinpatent:Pagecolumn10

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