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4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE

4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE structure

CAS No:
33143-92-9
Formula:
C12H11NO
Chemical Name:
4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE
Synonyms:
AKOS 91885;4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE;4-[(1,1-Dimethylprop-2-yn-1-yl)oxy]benzonitrile;3-(4-CYANOPHENOXY)-3-METHYLBUT-1-YNE;4-(2-methylbut-3-yn-2-yloxy)benzonitrile;4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE(WXG02676);Benzonitrile, 4-[(1,1-dimethyl-2-propyn-1-yl)oxy]-

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4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE Basic Attributes

Molecular Weight：

185.22

Exact Mass：

185.084063974

DSSTox ID：

DTXSID00381260

Characteristics

Density：

1.06±0.1 g/cm3

Melting Point：

30 °C

Boiling Point：

313.4±22.0 °C(Predicted)

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:185.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:185.084063974
Monoisotopic Mass:185.084063974
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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