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874-90-8,MFCD00001818
Catalog No.:AA003NTW

874-90-8 | 4-Methoxybenzonitrile

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10g
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25g
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$22.00   $15.00
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100g
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500g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003NTW
Chemical Name:
4-Methoxybenzonitrile
CAS Number:
874-90-8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00001818
SMILES:
COc1ccc(cc1)C#N
Properties
Properties
 
BP:
256-257°C at 760 mmHg  
Form:
Solid  
MP:
57-59 °C(lit.)  
Refractive Index:
1.5402 (estimate)  
Stability:
Hygroscopic  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
139  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Literature

Title: Preparation of a family of hexanuclear rhenium cluster complexes containing 5-(phenyl)tetrazol-2-yl ligands and alkylation of 5-substituted tetrazolate ligands.

Journal: Inorganic chemistry 20120716

Title: Synthesis of molybdenum nitrido complexes for triple-bond metathesis of alkynes and nitriles.

Journal: Inorganic chemistry 20110704

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 4-Methoxy-benzene-carbothio-amide.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: 2-(4-Methoxy-phen-yl)-4,5-dihydro-1H-imidazole.

Journal: Acta crystallographica. Section E, Structure reports online 20090401

Title: Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.

Journal: The Journal of organic chemistry 20090306

Title: Oxidative reactions of tetrametal Pd(0)...Mo(II)-Mo(II)...Pd(0) clusters: electrochemical communication of two Pd(0) centers through the Mo(2) moiety and oxidative formation of a Pd(I)-Mo(II)-Mo(II)-Pd(I) array.

Journal: Inorganic chemistry 20090302

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

Title: A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [(99m)Tc(CO)(3)](+) or [(186/188)Re(CO)(3)](+) in CN containing biomolecules.

Journal: Nuclear medicine and biology 20081001

Title: Toward prediction of alkane/water partition coefficients.

Journal: Journal of medicinal chemistry 20080710

Title: A mechanistic investigation of the carbon-carbon bond cleavage of aryl and alkyl cyanides using a cationic RhIII silyl complex.

Journal: Journal of the American Chemical Society 20030813

Title: Selective preparation of (E)-3-oxo-1-alkenylphosphonates by insertion of acyl chlorides and nitriles into zirconacycles.

Journal: The Journal of organic chemistry 20020531

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