Home Other Building Blocks 1527-89-5
1527-89-5,MFCD00001801
Catalog No.:AA003JKJ

1527-89-5 | 3-Methoxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$9.00   $7.00
- +
500g
98%
in stock  
$275.00   $192.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JKJ
Chemical Name:
3-Methoxybenzonitrile
CAS Number:
1527-89-5
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00001801
SMILES:
COc1cccc(c1)C#N
NSC Number:
225049
Properties
Properties
 
BP:
233.2°C at 760 mmHg  
Form:
Liquid  
MP:
20-22 °C  
Refractive Index:
n20/D 1.5402(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.4  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

Journal: The Journal of organic chemistry 20091106

Title: Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201

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SDS
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