3-Nitrocinnamic acid
Synonym(s):trans-3-(3-Nitrophenyl)acrylic acid
- CAS NO.：555-68-0
- Empirical Formula: C9H7NO4
- Molecular Weight: 193.16
- MDL number: MFCD00007277
- EINECS: 209-104-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:39
What is 3-Nitrocinnamic acid?
Chemical properties
Light yellow fine crystalline powder
Definition
ChEBI: 3-nitrocinnamic acid is a C-nitro compound comprising trans-cinnamic acid having a nitro group at position 3 on the phenyl ring. It is functionally related to a trans-cinnamic acid.
Purification Methods
Crystallise the acid from *C6H6 or EtOH. The p-bromophenacyl ester has m 178o (from AcOH). [Beilstein 9 III 271, 9 IV 2043.]
Properties of 3-Nitrocinnamic acid
| Melting point: | 200-202 °C(lit.) |
| Boiling point: | 329.36°C (rough estimate) |
| Density | 1.4058 (rough estimate) |
| refractive index | 1.5200 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pK1:4.12 (25°C) |
| color | Light green |
| Merck | 14,6595 |
| BRN | 1872713 |
| CAS DataBase Reference | 555-68-0(CAS DataBase Reference) |
| NIST Chemistry Reference | trans-3-Nitrocinnamic acid(555-68-0) |
| EPA Substance Registry System | 2-Propenoic acid, 3-(3-nitrophenyl)- (555-68-0) |
Safety information for 3-Nitrocinnamic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Nitrocinnamic acid
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