3,4′-Diaminodiphenyl ether
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3,4′-Diaminodiphenyl ether
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CAS No:
2657-87-6
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Formula:
C12H12N2O
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Chemical Name:
3,4′-Diaminodiphenyl ether
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Synonyms:
Benzenamine,3-(4-aminophenoxy)-;3-(4-Aminophenoxy)benzenamine;4,3′-Diaminodiphenyl oxide;3,4′-Diaminodiphenyl ether;3,4′-Oxydianiline;3-Aminophenyl 4-aminophenyl ether;3,4′-DAPE;3,4′-Oxydiphenylamine;CLP 5050;3-Amino-4′-aminodiphenyl ether;3,4′-DPE;3-(4-Aminophenoxy)aniline;3,4′-ODA
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CAS No:
Characteristics
61.3
2.2
light brown powder
1.2±0.1 g/cm3
72 °C
384.7°C at 760 mmHg
209.9±16.0 °C
1.666
4E-06mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Danger|H301+H311+H331 (10.91%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4′-Diaminodiphenyl ether Use and Manufacturing
General procedure: The hydrogenationwas carried out in a 100 mL vial equipped with an FB-generator without additional stirring. Nitroarene 1 (10mmol) was dissolved in ethyl acetate (80 mL), and then warmed to 30 °C. Using the FB-generator (MA3-FS), H2-FB was introduced into the reactor in the presence of palladium on alumina spheres (0.5percentPd, 2–4 mm, 0.3 mmol, 3 molpercent) at an H2-flow rate of 5 mL/min. The samples of the reaction mixture were taken out periodically tomonitor the reaction progress using the GC analysis. After the completion of the hydrogenation reaction, ethylacetate was evaporated in vacuo to afford the desired aniline 2 with good to excellent purity.
Computed Properties
Molecular Weight:200.24
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:200.094963011
Monoisotopic Mass:200.094963011
Topological Polar Surface Area:61.3
Heavy Atom Count:15
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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