4-(1,1-Dimethylethyl)benzonitrile
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4-(1,1-Dimethylethyl)benzonitrile
structure -
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CAS No:
4210-32-6
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Formula:
C11H13N
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Chemical Name:
4-(1,1-Dimethylethyl)benzonitrile
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Synonyms:
Benzonitrile,4-(1,1-dimethylethyl)-;Benzonitrile,p-tert-butyl-;4-(1,1-Dimethylethyl)benzonitrile;p-tert-Butylbenzonitrile;4-tert-Butylbenzonitrile;1-Cyano-4-(tert-butyl)benzene
- Categories:
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CAS No:
4-(1,1-Dimethylethyl)benzonitrile Basic Attributes
159.232
159.23
224-137-2
DTXSID70194945
2926909090
Characteristics
23.8
3.4
0.9492 g/cm3 @ Temp: 20 °C
12-14 °C
126 °C @ Press: 14 Torr
102.3±14.0 °C
1.512
Safety Information
III
6.1
3276
2
R20/21/22
S36-S36/37
Xn:Harmful;
P280-P305 + P351 + P338
H312-H319-H332
|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:159.23
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1,1-Dimethylethyl)benzonitrile
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