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1,3-Dimethyl-1H-pyrazole-5-carbonitrile

1,3-Dimethyl-1H-pyrazole-5-carbonitrile structure

CAS No:
306936-77-6
Formula:
C6H7N3
Chemical Name:
1,3-Dimethyl-1H-pyrazole-5-carbonitrile
Synonyms:
1H-Pyrazole-5-carbonitrile,1,3-dimethyl-;1,3-Dimethyl-1H-pyrazole-5-carbonitrile;2,5-Dimethyl-2H-pyrazole-3-carbonitrile;2,5-Dimethylpyrazole-3-carbonitrile

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1,3-Dimethyl-1H-pyrazole-5-carbonitrile Basic Attributes

Molecular Weight：

121.14

Exact Mass：

121.14

EC Number：

1592732-453-0

DSSTox ID：

DTXSID30371255

HScode：

2933199090

Characteristics

PSA：

41.61000

XLogP3：

0.60018

Density：

1.09±0.1 g/cm3

Boiling Point：

248.7±20.0 °C(Predicted)

Flash Point：

104.2ºC

Refractive Index：

1.566

PKA：

-0.06±0.10

Safety Information

hazard class code：

34-36/37/38

safety instructions：

26-27-36/37/39-45

Computed Properties

Molecular Weight:121.14
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Exact Mass:121.063997236
Monoisotopic Mass:121.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:9
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Dimethyl-1H-pyrazole-5-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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