4-Chlorocinnamic acid
Synonym(s):trans-3-(4-Chlorophenyl)propenoic acid
- CAS NO.：1615-02-7
- Empirical Formula: C9H7ClO2
- Molecular Weight: 182.6
- MDL number: MFCD00004396
- EINECS: 216-564-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 4-Chlorocinnamic acid?
Chemical properties
white to light yellow crystal powder
The Uses of 4-Chlorocinnamic acid
4-Chlorocinnamic Acid is a derivative of Cinnamic Acid (C442030) and plays an important role in the development of plants. 4-Chlorocinnamic Acid may also show potential antimicrobial, antioxidant, anti-inflammatory, and antitumoral activity.
Definition
ChEBI: 4-chlorocinnamic acid is an organochlorine compound comprising trans-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring. It is functionally related to a trans-cinnamic acid.
Purification Methods
Recrystallise the acid from EtOH or aqueous EtOH (charcoal). UV has max at 275nm (EtOH). [Walling & Wolfstirn J Am Chem Soc 69 852 1947, Beilstein 9 H 596, 9 II 395, 9 III 2727, 9 IV 2033.]
Properties of 4-Chlorocinnamic acid
| Melting point: | 248-250 °C(lit.) |
| Boiling point: | 260.71°C (rough estimate) |
| Density | 1.2377 (rough estimate) |
| refractive index | 1.5426 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| pka | 4.41(at 25℃) |
| form | Fine Crystalline Powder |
| color | White |
| BRN | 1365308 |
| CAS DataBase Reference | 1615-02-7(CAS DataBase Reference) |
| NIST Chemistry Reference | p-Chlorocinnamic acid(1615-02-7) |
| EPA Substance Registry System | 2-Propenoic acid, 3-(4-chlorophenyl)- (1615-02-7) |
Safety information for 4-Chlorocinnamic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Chlorocinnamic acid
| InChIKey | GXLIFJYFGMHYDY-ZZXKWVIFSA-N |
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