3-Cyanopropanoic acid
- CAS No.
- 16051-87-9
- Chemical Name:
- 3-Cyanopropanoic acid
- Synonyms
- 2-Cyanopropanoic acid;NSC 97378;2-Cyanopropionic acid;3-CYANOPROPIONIC ACID;3-Cyanopropanoic acid;Propanoic acid,3-cyano-;beta-Cyanopropionic acid;α-Methylcyanoacetic acid
- CBNumber:
- CB0301943
- Molecular Formula:
- C4H5NO2
- Molecular Weight:
- 99.09
- MDL Number:
- MFCD00233974
- MOL File:
- 16051-87-9.mol
- MSDS File:
- SDS
| Melting point | 49.5-51.0℃ |
|---|---|
| Boiling point | 113-115 °C(Press: 3 Torr) |
| Density | 1.200±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | pK1:3.99 (25°C) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7) |
| InChIKey | BXYQHDXDCJQOFD-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCC#N |
| UNSPSC Code | 12352106 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 26 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
3-Cyanopropanoic acid price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Biosynth | FC139540 | 3-Cyanopropanoic acid | 16051-87-9 | 1000mg | $240 | 2026-06-04 | Buy |
| Biosynth | FC139540 | 3-Cyanopropanoic acid | 16051-87-9 | 2000mg | $360 | 2026-06-04 | Buy |
| Biosynth | FC139540 | 3-Cyanopropanoic acid | 16051-87-9 | 5000mg | $650 | 2026-06-04 | Buy |
| Biosynth | FC139540 | 3-Cyanopropanoic acid | 16051-87-9 | 10000mg | $900 | 2026-06-04 | Buy |
| Biosynth | FC139540 | 3-Cyanopropanoic acid | 16051-87-9 | 25000mg | $1750 | 2026-06-04 | Buy |
3-Cyanopropanoic acid Chemical Properties,Uses,Production
Synthesis Reference(s)
Journal of Heterocyclic Chemistry, 4, p. 533, 1967 DOI: 10.1002/jhet.5570040413
Synthesis
590-92-1
773837-37-9
16051-87-9
GENERAL STEPS: 3-Bromopropionic acid (1.00 g, 6.6 mmol) was dissolved in EtOH/DMF (30 mL/15 mL) mixed solvent, and NaCN (0.96 g, 19.6 mmol) was added. The reaction mixture was heated to reflux for 15 hours. The reaction progress was monitored by TLC and after confirming the complete consumption of the raw material, the solvent was removed by distillation under reduced pressure. The resulting crude product was poured into ice water (70 mL) and the pH was adjusted to 1 with 3M HCl solution, followed by extraction with EtOAc (3 x 50 mL). The organic layers were combined, dried with anhydrous Na2SO4, filtered and concentrated to dryness under reduced pressure. Purification by fast column chromatography (eluent: CH3CN/H2O, 1/1) afforded the target product 3-cyanopropionic acid (0.35 g, 3.55 mmol, 54% yield) as a colorless solid. rf = 0.60 (CH3CN/H2O: 1/1).1H NMR (300 MHz, CDCl3): δ (ppm) = 2.64 (2H, t. J = 6.5 Hz, CH2-CN), 2.73 (2H, t, J = 6.5 Hz, CH2-CO), 9.63 (1H, br s, COOH).13C NMR (75 MHz, CDCl3): δ (ppm) = 12.8, 29.8, 118.8, 175.6.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 6, p. 1643 - 1647
3-Cyanopropanoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| GT Chemical & Technology (changzhou) Co.,Ltd | 0519-86889226 18015049226 | jifuzhong01@163.com | China | 41 | 58 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai Ennopharm Co., Ltd. | +86 (21) 6435-5022 | China | 4263 | 65 | |
| SpringPharma Tech Co.,Ltd | +86-25-68710855, +86-25-68710897 | sales@springpharma.net | China | 1260 | 62 |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Chengdu HappySyn Pharmaceutical Technology Co., Ltd. | 85114309 18982182443 | yangli@happysyn.com | China | 2283 | 55 |
View Lastest Price from 3-Cyanopropanoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-12-20 | 3-CYANOPROPANOIC ACID
16051-87-9
|
$1.00 | 1KG | 99% | 1000KGS | Career Henan Chemical Co |
-
- 3-CYANOPROPANOIC ACID
16051-87-9
- $1.00
- 99%
- Career Henan Chemical Co
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