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4-PYRAZOL-1-YL-BENZONITRILE

4-PYRAZOL-1-YL-BENZONITRILE structure

CAS No:
25699-83-6
Formula:
C10H7N3
Chemical Name:
4-PYRAZOL-1-YL-BENZONITRILE
Synonyms:
4-PYRAZOL-1-YL-BENZONITRILE;4-(1H-Pyrazol-1-yl);Benzonitrile, 4-(1H-pyrazol-1-yl)-;Benzonitrile, p-pyrazol-1-yl-;4-(1-Pyrazolyl)benzonitrile;4-(1H-PyrazoL;1-(4-Cyanophenyl)pyrazole

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4-PYRAZOL-1-YL-BENZONITRILE Basic Attributes

Molecular Weight：

169.18

Exact Mass：

169.063997236

HScode：

2933199090

Characteristics

PSA：

52.47000

XLogP3：

1.94838

Density：

1.13±0.1 g/cm3

Melting Point：

89 °C

Boiling Point：

316.5±25.0 °C(Predicted)

Flash Point：

138.5ºC

Refractive Index：

1.623

Vapor Pressure：

0mmHg at 25°C

PKA：

-0.63±0.10

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

Marks：

Computed Properties

Molecular Weight:169.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.063997236
Monoisotopic Mass:169.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-PYRAZOL-1-YL-BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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