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Name |
3-nitrocinnamic acid |
EINECS | 209-104-2 |
CAS No. | 555-68-0 | Density | 1.411 g/cm3 |
PSA | 83.12000 | LogP | 2.21580 |
Solubility | N/A | Melting Point |
200-202 °C(lit.) |
Formula | C9H7NO4 | Boiling Point | 372.1 °C at 760 mmHg |
Molecular Weight | 193.159 | Flash Point | 166.5 °C |
Transport Information | N/A | Appearance | Light yellow fine crystalline powder |
Safety | 22-24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cinnamicacid, m-nitro- (6CI,7CI,8CI);3-(3-Nitrophenyl)-2-propenoic acid;3-(3-Nitrophenyl)acrylic acid;3-Nitrobenzenepropenoic acid;Ethyl 3-(3-nitrophenyl)-2-propenoate;NSC 5408;m-Nitrocinnamic acid; |
Article Data | 109 |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 3-amino propanoic acid In ethanol at 20℃; Knoevenagel-Doebner reaction; stereoselective reaction; | 98% |
With piperidine; pyridine for 0.0333333h; microwave irradiation; | 97% |
With ammonium acetate for 0.0666667h; Irradiation; | 95% |
Conditions | Yield |
---|---|
With sodium carbonate In water at 120℃; for 12h; Green chemistry; | 96.5% |
With potassium carbonate In water for 12h; Heck Reaction; Inert atmosphere; Reflux; | 95% |
With tributyl-amine; silica-supported bidentate arsine palladium(0) In para-xylene at 100℃; for 6h; Heck arylation; | 87% |
malonic acid
sodium α-hydroxy-m-nitrotoluene-α-sulphonate
(E)-3-Nitrocinnamic acid
Conditions | Yield |
---|---|
With piperazine In ethylene glycol for 0.125h; Knoevenagel condensation; microwave irradiation; | 92% |
Conditions | Yield |
---|---|
With potassium carbonate In water for 12h; Heck Reaction; Inert atmosphere; Reflux; | 92% |
(E)-2'-hydroxy-3-nitrochalcone
(E)-3-Nitrocinnamic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; potassium carbonate In acetonitrile at 20℃; for 5h; | 91% |
Conditions | Yield |
---|---|
With pyridine; dmap; lithium chloride In 1-methyl-pyrrolidin-2-one at 185 - 190℃; for 8h; | 82% |
With pyridine; dmap; sodium tetraborate decahydrate; N-benzyl-N,N,N-triethylammonium chloride In 1-methyl-pyrrolidin-2-one at 185 - 190℃; for 7h; | 82% |
Conditions | Yield |
---|---|
With trichlorophosphate at 80 - 90℃; Condensation; Perkin reaction; | 80% |
With tetraacetyl diborate | |
With sodium acetate |
Conditions | Yield |
---|---|
palladium dichloride In water for 0.0166667h; Heck reaction; microwave irradiation; | 80% |
A
1H-benzimidazole-2-sulfonic acid
B
(E)-3-Nitrocinnamic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; acetic acid for 24h; | A 59% B 56% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 0℃; for 2h; | 36% |
3-nitrocinnamic acid(555-68-0) is also named as AKOS B004090;3-(3-NITROPHENYL)ACRYLIC ACID;LABOTEST-BB LT00005570;RARECHEM BK HC P253;OTAVA-BB BB7020401717;M-NITROCINNAMIC ACID;m-Nitrocinnamic acid;Cinnamic acid, m-nitro;trans-3-Nitrocinnamic acid;3-nitro-cinnamic acid;Cinnamic acid, m-nitro-,and so on.3-nitrocinnamic acid(555-68-0) is light yellow fine crystalline powder.
CAS: 555-68-0
Molecular Formula: C9H7NO4
Molecular Weight: 193.16
Molecular structure:
EINECS: 209-104-2
Melting point: 200-202 °C(lit.)
Merck: 14,6595
BRN: 1872713
ACD/LogD (pH 5.5): 0.34
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 4.6
ACD/KOC (pH 7.4): 1
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.655
Molar Refractivity: 50.25 cm3
Molar Volume: 136.8 cm3
Polarizability: 19.92 10-24cm3
Surface Tension: 64.2 dyne/cm
Density: 1.411 g/cm3
Flash Point: 166.5 °C
Enthalpy of Vaporization: 65.32 kJ/mol
Boiling Point: 372.1 °C at 760 mmHg
Vapour Pressure: 3.39E-06 mmHg at 25°C