Ethyl 4-isocyanatobenzoate
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Ethyl 4-isocyanatobenzoate
structure -
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CAS No:
30806-83-8
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Formula:
C10H9NO3
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Chemical Name:
Ethyl 4-isocyanatobenzoate
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Synonyms:
Benzoic acid,4-isocyanato-,ethyl ester;Benzoic acid,p-isocyanato-,ethyl ester;Ethyl p-isocyanatobenzoate;Ethyl 4-isocyanatobenzoate;4-(Ethoxycarbonyl)phenyl isocyanate;(p-Ethoxycarbonyl)phenyl isocyanate;4-Isocyanatobenzoic acid ethyl ester;1025436-22-9;1330062-09-3
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CAS No:
Characteristics
55.73000
1.83060
1.2722
60 °C
144-148 °C @ Press: 17 Torr
>230 °F
1.5310 (estimate)
Hydrolyses in water.
0-6ºC
Safety Information
III
6.1
2206
3
20/21/22-36/37/38-42
26-27-37/39
Xn,Xi
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:191.18
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:191.058243149
Monoisotopic Mass:191.058243149
Topological Polar Surface Area:55.7
Heavy Atom Count:14
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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