3-(3-Nitrophenyl)-2-propenoic acid
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3-(3-Nitrophenyl)-2-propenoic acid
structure -
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CAS No:
555-68-0
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Formula:
C9H7NO4
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Chemical Name:
3-(3-Nitrophenyl)-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-(3-nitrophenyl)-;Cinnamic acid,m-nitro-;3-(3-Nitrophenyl)-2-propenoic acid;m-Nitrocinnamic acid;3-Nitrocinnamic acid;3-Nitrobenzenepropenoic acid;3-(3-Nitrophenyl)acrylic acid;3′-Nitrocinnamic acid;Ethyl 3-(3-nitrophenyl)-2-propenoate;NSC 5408
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CAS No:
3-(3-Nitrophenyl)-2-propenoic acid Basic Attributes
193.16
193.16
1872713
209-104-2
DTXSID8060298
29163900
Characteristics
83.1
2.31
very slightly yellow solid
1.4±0.1 g/cm3
179 °C
372.1±25.0 °C at 760 mmHg
166.5±11.6 °C
1.655
Store in a cool, dry place. Keep container closed when not in use.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25
GE0352000
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
3-(3-Nitrophenyl)-2-propenoic acid Use and Manufacturing
It is derived from the condensation of m-nitrobenzaldehyde and acetic anhydride. Add m-nitrobenzaldehyde, acetic anhydride and sodium acetate into the dry reaction pot, stir and heat to 170°C, and reflux for 6h. Cool, precipitate crystals, filter, wash the crystals with water, and then recrystallize in 95% ethanol to obtain m-nitrocinnamic acid. The yield is 75%.
It is used in organic synthesis and is an intermediate of the diagnostic drug calcium iopromide.
2-Propenoic acid, 3-(3-nitrophenyl)-: INACTIVE
Computed Properties
Molecular Weight:193.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:193.03750770
Monoisotopic Mass:193.03750770
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:256
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(3-Nitrophenyl)-2-propenoic acid
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