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2-Ethynylbenzonitrile

2-Ethynylbenzonitrile structure

CAS No:
40888-26-4
Formula:
C9H5N
Chemical Name:
2-Ethynylbenzonitrile
Synonyms:
2-cyanophenylethyne; 2-ethenylbenzonitrile; 2-cyano-1-ethynylbenzene; o-cyanophenylacetylene;
Categories:
Chemical Reagents > Organic Reagents

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2-Ethynylbenzonitrile Basic Attributes

Molecular Weight：

127.14300

Exact Mass：

127.042199164

DSSTox ID：

DTXSID70455664

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.53958

Density：

1.081g/cm3

Boiling Point：

246.75ºC

Flash Point：

103.017ºC

Refractive Index：

1.566

Computed Properties

Molecular Weight:127.14
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:127.042199164
Monoisotopic Mass:127.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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40888-26-4 2-ethynylbenzonitrile

CAS No.: 40888-26-4

Grade: Industrial Grade

Content: 95%

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