T-BUTYLISOCYANOACETATE
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T-BUTYLISOCYANOACETATE
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CAS No:
2769-72-4
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Formula:
C7H11NO2
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Chemical Name:
T-BUTYLISOCYANOACETATE
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Synonyms:
T-BUTYLISOCYANOACETATE;TERT-BUTYLISOCYANOACETATE;tert-Butyl2-isocyanoacetate;2-ISOCYANOACETICACIDTERT-BUTYLESTER;2-Isocyanoaceticacid1,1-dimethylethylester;tert-Butylisocyanoacetatetechnical,>=95%(GC)
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CAS No:
Characteristics
26.30000
0.47810
0.97 g/mL at 20 °C(lit.)
50 °C0.1 mm Hg(lit.)
82 °C
n20/D 1.422
-20ºC
Safety Information
III
6.1(b)
UN 2810 6.1/PG 3
3
R20/22
23-24/25
Xn: Harmful;
P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, P501
H302-H332
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:141.17
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:30.7
Heavy Atom Count:10
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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