5-Amino-2-methoxyphenol
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5-Amino-2-methoxyphenol
structure -
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CAS No:
1687-53-2
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Formula:
C7H9NO2
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Chemical Name:
5-Amino-2-methoxyphenol
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Synonyms:
Phenol,5-amino-2-methoxy-;Guaiacol,5-amino-;5-Amino-2-methoxyphenol;5-Aminoguaiacol;3-Hydroxy-4-methoxyaniline;2-Methoxy-5-aminophenol;3-Amino-6-methoxyphenol;(3-Hydroxy-4-methoxyphenyl)amine;5-Amino-2-(methyloxy)phenol
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CAS No:
Characteristics
55.5
0.8
Brown Crystal
1.1997 (rough estimate)
125-127 °C
255.1°C (rough estimate)
130.8±21.8 °C
1.4800 (estimate)
slightly soluble
Store below +30°C.
0.00103mmHg at 25°C
Safety Information
II
2811
3
20/21/22-36/37/38-20/22
26-36-37/39
Xn
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (97.78%): 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Amino-2-methoxyphenol Use and Manufacturing
To a solution of commercially available 2-methoxy-5-nitro-phenol: 1-01 a (40 g, 236.5 mmol) in MeOH (300 mL) was added Pd/C (3 g) under Ar. The suspension was degassed under vacuum and purged with H2 several times. The reaction mixture was stirred under H2 (40 psi) at RT for 24h. Then, the mixture was filtered and the filtrate was concentrated to give intermediate I- 16a (25g, 76percent) as a yellow solid. ESI-MS (M+1 ): 140.1 calc. for C7H9NO2: 139.06.
Computed Properties
Molecular Weight:139.15
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.063328530
Monoisotopic Mass:139.063328530
Topological Polar Surface Area:55.5
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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