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2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE

2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE structure

CAS No:
81606-79-3
Formula:
C4H4N4
Chemical Name:
2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE
Synonyms:
1,2,4-Triazol-1-ylacetonitrile;1H-1,2,4-Triazole-1-acetonitrile;2-(1,2,4-Triazol-1-yl)acetonitrile;2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE;2-(1H-1,2,4-triazol-1-yl)acetonitrile (en)

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2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE Basic Attributes

Molecular Weight：

108.1

Exact Mass：

108.043594

DSSTox ID：

DTXSID70377519

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

-0.1

Density：

1.3±0.1 g/cm3

Melting Point：

55-58ºC

Boiling Point：

312.9°C at 760 mmHg

Flash Point：

143.0±28.4 °C

Refractive Index：

1.634

Safety Information

Packing level：

Ⅲ

Transport codes：

3439

hazard class code：

6.1

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:108.10
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.043596145
Monoisotopic Mass:108.043596145
Topological Polar Surface Area:54.5
Heavy Atom Count:8
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE

SDS

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