Cyanoacetic acid
ALDRICH/C88505 - 99%
Synonym: 2-Cyanoacetic acid; Cyanoethanoic acid; Malonic mononitrile; Monocyanoacetic acid
CAS Number: 372-09-8
Empirical Formula (Hill Notation): C3H3NO2
Molecular Weight: 85.06
EC Number: 206-743-9
MDL Number: MFCD00002677
Linear Formula: NCCH2COOH
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: C88505-500G
| assay | 99% |
| bp | 108 °C/0.15 mmHg (lit.) |
| form | crystals |
| InChI | 1S/C3H3NO2/c4-2-1-3(5)6/h |
| InChI key | MLIREBYILWEBDM-UHFFFAOYSA |
| mp | 64-70 °C (lit.) |
| Quality Level | 100  |
| SMILES string | OC(=O)CC#N |
| solubility | H2O: 50 mg/mL, clear, colorless to very faintly yellow |
| vapor pressure | 0.1 mmHg ( 100 °C) |
| Application: | Cyanoacetic acid can be used as a reagent: • Along with acetic anhydride for cyanoacetylation of various pyrroles, indoles, and aniline derivatives. It can also be used in other reactions such as cyclizations, syntheses of coumarins and other heterocycles. • To prepare of key intermediate via Knoevenagel condensation in the total synthesis of 5-acetamido-substituted melatonin derivatives as MT3 receptor ligands. • In the synthesis of aminopyrrolinone derivatives by reacting Ugi adducts of cyanoacetic acid and aromatic aldehydes. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 25, 500 g in glass bottle |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 + H332 - H314 |
| Precautionary statements | P260 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 20/22-31-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3261 8 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 224.6 °F - closed cup |
| Flash Point(C) | 107 °C - closed cup |
| Supplemental Hazard Statements | EUH031 |
| Purity | 99% |
| bp | 108 °C/0.15 mmHg (lit.) |
| mp | 64-70 °C (lit.) |
| UNSPSC | 12352100 |