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Basic Information
| CAS No.: | 612-41-9 |
|---|---|
| Name: | 2-Nitrocinnamic acid |
| Article Data: | 94 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO4 |
| Molecular Weight: | 193.159 |
| Synonyms: | 3-(2-Nitrophenyl)propenoic acid;Cinnamic acid, o-nitro- (6CI,7CI,8CI);Cinnamic acid, o-nitro-;3-(2-Nitrophenyl)-2-propenoic acid;2-Propenoic acid, 3-(2-nitrophenyl)-;3-(2-nitrophenyl)prop-2-enoic acid;2-Propenoic acid, 3- (2-nitrophenyl)-;o-Nitrocinnamic acid; |
| EINECS: | 210-309-4 |
| Density: | 1.411 g/cm3 |
| Melting Point: | 243-245 °C(lit.) |
| Boiling Point: | 383.3 °C at 760 mmHg |
| Flash Point: | 171.8 °C |
| Solubility: | insoluble in water |
| Appearance: | Yellow crystalline powder or needles |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 83.12000 |
| LogP: | 2.21580 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide In water; acetonitrile at 10℃; for 1h; | 98% |
Conditions
| Conditions | Yield |
|---|---|
| With sodium carbonate In water at 120℃; for 12h; Green chemistry; | 96.9% |
Conditions
| Conditions | Yield |
|---|---|
| With potassium carbonate In water for 24h; Time; Heck Reaction; Inert atmosphere; Reflux; | 94% |
| With sodium carbonate In water at 120℃; for 24h; Green chemistry; | 81.7% |
- 558-13-4
carbon tetrabromide
- 3156-39-6, 5670-66-6, 5670-67-7
(E)-1-nitro-2-(2-nitrovinyl)benzene
- 612-41-9
2-nitrocinnamic acid
Conditions
| Conditions | Yield |
|---|---|
| With tris(2,2'-bipyridyl)ruthenium dichloride; water; diisopropylamine In acetonitrile at 20℃; for 10h; Inert atmosphere; Irradiation; stereoselective reaction; | 93% |
Conditions
| Conditions | Yield |
|---|---|
| With piperidine; pyridine In isopropyl alcohol Knoevenagel-Doebner-Stobbe Reaction; Heating; | 87.65% |
| With piperidine; pyridine at 110℃; | 83% |
| With pyridine Heating; | 78% |
- 73386-22-8
(E)-2'-hydroxy-2-nitrochalcone
- 612-41-9
2-nitrocinnamic acid
Conditions
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; potassium carbonate In acetonitrile at 20℃; for 5h; | 84% |
Conditions
| Conditions | Yield |
|---|---|
| With palladium(II) carboxymethylcellulose In water at 20℃; for 8h; | 81% |
Conditions
| Conditions | Yield |
|---|---|
| With pyridine; dmap; sodium tetraborate decahydrate; N-benzyl-N,N,N-triethylammonium chloride In 1-methyl-pyrrolidin-2-one at 185 - 190℃; for 6h; | 79% |
- 39228-29-0
(E)-methyl 2-nitrocinnamate
- 612-41-9
2-nitrocinnamic acid
Conditions
| Conditions | Yield |
|---|---|
| With potassium fluoride; thiophenol In various solvent(s) at 190℃; for 0.166667h; | 72% |
| With potassium fluoride; thiophenol In 1-methyl-pyrrolidin-2-one for 0.166667h; Heating; | 72% |
- 141-82-2
malonic acid
- 552-89-6
2-nitro-benzaldehyde
A
- 5678-48-8
3-amino-3-(2-nitrophenyl)propionic acid
B
- 103582-31-6
3-(2-nitrophenyl)-2-carboxy-2-propenoic acid
C
- 612-41-9
2-nitrocinnamic acid
Conditions
| Conditions | Yield |
|---|---|
| With ammonium acetate In acetic acid at 60℃; for 5h; | A 26% B 57% C 0.8% |
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2-Nitrocinnamic acid
Chemistry
The molecular formula of 2-Nitrocinnamic acid(612-41-9) is C9H7NO4 and its formula weight is 193.16.
2-Nitrocinnamic acid(612-41-9) has a melting point of 243-245 °C(lit.).
The chemical synonyms of 2-Nitrocinnamic acid(612-41-9) are RARECHEM BK HC T331;O-NITROCINNAMIC ACID;TRANS-3-(2-NITROPHENYL)PROPENOIC ACID;trans-2-nitrocinnamic acid;(2E)-3-(2-Nitrophenyl)-2-propenoic acid;2-Propenoic acid, 3-(2-nitrophenyl)-;3-(2-nitrophenyl)-2-propenoicaci;3-(2-nitrophenyl)-2-propenoicacid
The molecular structure of 2-Nitrocinnamic acid(612-41-9):
2-Nitrocinnamic acid(612-41-9) has a melting point of 243-245 °C(lit.).
The chemical synonyms of 2-Nitrocinnamic acid(612-41-9) are RARECHEM BK HC T331;O-NITROCINNAMIC ACID;TRANS-3-(2-NITROPHENYL)PROPENOIC ACID;trans-2-nitrocinnamic acid;(2E)-3-(2-Nitrophenyl)-2-propenoic acid;2-Propenoic acid, 3-(2-nitrophenyl)-;3-(2-nitrophenyl)-2-propenoicaci;3-(2-nitrophenyl)-2-propenoicacid
The molecular structure of 2-Nitrocinnamic acid(612-41-9):
Toxicity Data With Reference
RTECS#: CAS# 612-41-9: UD3642850
LD50/LC50: RTECS: Not available.
Carcinogenicity: O-NITROCINNAMIC ACID - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information.
LD50/LC50: RTECS: Not available.
Carcinogenicity: O-NITROCINNAMIC ACID - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information.
Safety Profile
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 22-24/25
WGK Germany 3
RTECS UD3642850
Hazard Note Irritant
HS Code 29163900
Risk Statements 36/37/38
Safety Statements 22-24/25
WGK Germany 3
RTECS UD3642850
Hazard Note Irritant
HS Code 29163900
Specification
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Strong oxidants.
Incompatibilities with Other Materials Not available
Hazardous Decomposition Products Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization Has not been reported.
Conditions to Avoid: Strong oxidants.
Incompatibilities with Other Materials Not available
Hazardous Decomposition Products Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization Has not been reported.