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4-Chloro-1H-pyrazole-1-acetonitrile

4-Chloro-1H-pyrazole-1-acetonitrile structure

CAS No:
113336-23-5
Formula:
C5H4ClN3
Chemical Name:
4-Chloro-1H-pyrazole-1-acetonitrile
Synonyms:
1H-Pyrazole-1-acetonitrile,4-chloro-;4-Chloro-1H-pyrazole-1-acetonitrile;(4-Chloro-1H-pyrazol-1-yl)acetonitrile;2-(4-Chloropyrazol-1-yl)acetonitrile;2-(4-Chloro-1H-pyrazol-1-yl)acetonitrile

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4-Chloro-1H-pyrazole-1-acetonitrile Basic Attributes

Molecular Weight：

141.55836

Exact Mass：

141.56

DSSTox ID：

DTXSID40554638

HScode：

2933199090

Characteristics

PSA：

41.6

XLogP3：

0.7

Density：

1.33±0.1 g/cm3(Predicted)

Boiling Point：

134-137 °C @ Press: 12 Torr

Flash Point：

123.624ºC

Refractive Index：

1.607

Safety Information

Packing level：

Ⅲ

Transport codes：

3439

hazard class code：

6.1

Computed Properties

Molecular Weight:141.56
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:141.0093748
Monoisotopic Mass:141.0093748
Topological Polar Surface Area:41.6
Heavy Atom Count:9
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloro-1H-pyrazole-1-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Chloro-1H-pyrazole-1-acetonitrile

SDS

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