Ethyl (4-nitrobenzoyl)acetate
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Ethyl (4-nitrobenzoyl)acetate
structure -
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CAS No:
838-57-3
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Formula:
C11H11NO5
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Chemical Name:
Ethyl (4-nitrobenzoyl)acetate
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Synonyms:
Benzenepropanoic acid,4-nitro-β-oxo-,ethyl ester;Acetic acid,(p-nitrobenzoyl)-,ethyl ester;Ethyl (p-nitrobenzoyl)acetate;(p-Nitrobenzoyl)acetic acid ethyl ester;Ethyl (4-nitrobenzoyl)acetate;(4-Nitrobenzoyl)acetic acid ethyl ester;Ethyl 3-(4-nitrophenyl)-3-oxopropanoate;4-Nitro-β-oxobenzenepropanoic acid ethyl ester;NSC 62134;Ethyl 2-(4-nitrobenzoyl)acetate;Ethyl 3-(4-nitrophenyl)-3-oxopropionate;Ethyl 3-oxo-3-(4-nitrophenyl)propanoate;3-Oxo-3-(4-nitrophenyl)propionic acid ethyl ester;3-(4-Nitrophenyl)-3-oxopropionic acid ethyl ester
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CAS No:
Ethyl (4-nitrobenzoyl)acetate Basic Attributes
237.21
237.21
1124763
212-656-7
62134
DTXSID9061201
2918300090
Safety Information
IRRITANT
NONH for all modes of transport
2
36/37/38
24/25-36/37-26
AJ1073500
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethyl (4-nitrobenzoyl)acetate Use and Manufacturing
Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester: INACTIVE
Computed Properties
Molecular Weight:237.21
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:237.06372245
Monoisotopic Mass:237.06372245
Topological Polar Surface Area:89.2
Heavy Atom Count:17
Complexity:302
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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