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Home > Encyclopedia > 3-Chloro-4-(trifluoromethoxy)benzonitrile

3-Chloro-4-(trifluoromethoxy)benzonitrile

3-Chloro-4-(trifluoromethoxy)benzonitrile structure

3-Chloro-4-(trifluoromethoxy)benzonitrile 

structure

3-Chloro-4-(trifluoromethoxy)benzonitrile Basic Attributes

221.57

220.985519

DTXSID90378745

2926909090

Characteristics

33

3.55

White solid

1.47±0.1 g/cm3(Predicted)

39-41°C

222.5±35.0 °C(Predicted)

88.4±25.9 °C

1.484

0.101mmHg at 25°C

Safety Information

III

6.1

UN3439

20/21/22-36/37/38

9-26-36/37

Xi,Xn

Computed Properties

Molecular Weight:221.56
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:220.9855259
Monoisotopic Mass:220.9855259
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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