Butyl 2-isocyanatoacetate
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Butyl 2-isocyanatoacetate
structure -
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CAS No:
17046-22-9
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Formula:
C7H11NO3
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Chemical Name:
Butyl 2-isocyanatoacetate
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Synonyms:
Acetic acid,2-isocyanato-,butyl ester;Acetic acid,isocyanato-,butyl ester;Butyl 2-isocyanatoacetate;Butyl isocyanatoacetate;(Butoxycarbonyl)methyl isocyanate;NSC 518681
- Categories:
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CAS No:
Butyl 2-isocyanatoacetate Basic Attributes
157.17
157.17
241-114-2
CVM3W9Q955
518681
DTXSID1066152
2929109000
Characteristics
55.73000
0.66550
1.06 g/mL at 25 °C(lit.)
213 °C(lit.)
210 °F
n 20/D 1.43(lit.)
2-8°C
Safety Information
III
IRRITANT
UN 1693 6.1/PG 2
3
20/21/22-36/37/38
23-26-36
Xn
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:157.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:157.07389321
Monoisotopic Mass:157.07389321
Topological Polar Surface Area:55.7
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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