5-Methoxy-2-nitrobenzoic acid
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5-Methoxy-2-nitrobenzoic acid
structure -
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CAS No:
1882-69-5
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Formula:
C8H7NO5
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Chemical Name:
5-Methoxy-2-nitrobenzoic acid
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Synonyms:
Benzoic acid,5-methoxy-2-nitro-;m-Anisic acid,6-nitro-;5-Methoxy-2-nitrobenzoic acid;2-Nitro-5-methoxybenzoic acid;NSC 364656;5-(Methyloxy)-2-nitrobenzoic acid
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CAS No:
5-Methoxy-2-nitrobenzoic acid Basic Attributes
197.14
197.14
1877657
606-135-7
364656
DTXSID90320805
29182900
Characteristics
92.4
1.82480
Beige to gray or brown Granules
1.43
255 °C
334.23°C (rough estimate)
195.5±23.7 °C
1.5700 (estimate)
4.17E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26-37
Xi
|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Methoxy-2-nitrobenzoic acid Use and Manufacturing
5-Methoxy-nitrobenzoic Acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synthesized using this compound.
Computed Properties
Molecular Weight:197.14
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:197.03242232
Monoisotopic Mass:197.03242232
Topological Polar Surface Area:92.4
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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