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455-18-5,MFCD00001826
Catalog No.:AA003NOP

455-18-5 | 4-(Trifluoromethyl)benzonitrile

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  • Technical Information
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Technical Information
Catalog Number:
AA003NOP
Chemical Name:
4-(Trifluoromethyl)benzonitrile
CAS Number:
455-18-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00001826
SMILES:
N#Cc1ccc(cc1)C(F)(F)F
NSC Number:
88340
Properties
Properties
 
BP:
183.2°C at 760 mmHg  
Form:
Solid  
MP:
39-41 °C(lit.)  
Refractive Index:
n20/D 1.4583(lit.)  
Stability:
Lachrymatory  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
192  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
XLogP3:
2.9  

Literature

Title: 4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: (Z)-N'-Hy-droxy-4-(trifluoro-meth-yl)benzimidamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

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: [Improved method of fluvoxamine synthesis].

Journal: Zhejiang da xue xue bao. Yi xue ban = Journal of Zhejiang University. Medical sciences 20031001

Title: 4-(Trifluoromethyl)benzonitrile.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020201

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