1-Ethoxy-4-isocyanatobenzene
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1-Ethoxy-4-isocyanatobenzene
structure -
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CAS No:
32459-62-4
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Formula:
C9H9NO2
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Chemical Name:
1-Ethoxy-4-isocyanatobenzene
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Synonyms:
Benzene,1-ethoxy-4-isocyanato-;Isocyanic acid,p-ethoxyphenyl ester;Phenetole,p-isocyanato-;1-Ethoxy-4-isocyanatobenzene;p-Ethoxyphenyl isocyanate;4-Ethoxyphenyl isocyanate;4-Ethoxy-1-isocyanatobenzene
- Categories:
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CAS No:
Characteristics
38.7
2.05260
1.11 g/mL at 25 °C(lit.)
61 °C @ Solvent: Ethanol
110 °C
222 °F
n20/D 1.536(lit.)
0-10°C
4-Ethoxyphenyl isocyanate|D: Other compounds that may form peroxides|Kelly
Safety Information
III
6.1
UN 2206 6.1/PG 3
3
20/21/22-36/37/38
7-26-27-37/39
Xn
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, P501
H302
|Danger|H302 (95.45%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.17
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:38.7
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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