3-Methoxy-4-nitrobenzoic acid
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3-Methoxy-4-nitrobenzoic acid
structure -
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CAS No:
5081-36-7
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Formula:
C8H7NO5
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Chemical Name:
3-Methoxy-4-nitrobenzoic acid
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Synonyms:
Benzoic acid,3-methoxy-4-nitro-;m-Anisic acid,4-nitro-;3-Methoxy-4-nitrobenzoic acid;NSC 148471;4-Nitro-3-methoxybenzoic acid
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CAS No:
3-Methoxy-4-nitrobenzoic acid Basic Attributes
197.14
197.14
2696042
225-793-2
148471
DTXSID50198840
2918990090
Characteristics
92.4
1.8
Primrose yellow liquid
1.4±0.1 g/cm3
229-230 °C
404.9°C at 760 mmHg
198.7±24.6 °C
1.588
Insoluble in water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
Cool,dry,tightlyclosed
3
36/37/38
24/25
Xn
Stable under normal temperatures and pressures.
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, 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.
3-Methoxy-4-nitrobenzoic acid Use and Manufacturing
3-Methoxy-4-nitrobenzoic acid Compound 236b: 3-Methoxy-4-nitro-benzoic acid: A solution of methanol (0.18g, 5.5 mmol, 1.1 eq) in THF (10 ml) was added drop- wise to sodium hydride as a 60percent dispersion in mineral oil (0.22 g, 9.2 mmol, 1.8 eq) whilst being cooled to 0
Computed Properties
Molecular Weight:197.14
XLogP3:1.8
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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