872-85-5
4-Pyridinecarboxaldehyde
CAS: 872-85-5
Molecular Formula: C6H5NO
872-85-5 - Names and Identifiers
| Name | 4-Pyridinecarboxaldehyde |
| Synonyms | Pyridin-4-al 4-Formylpyrdine 4-Pyridylaldehyde 4-Pyridinealdehyde Isonicotinaldehyde Pyridine-4-aldehyde Isonicotinic aldehyde pyridine-4-carbaldehyde 4-Pyridinecarboxaldehyde Pyridine-4-carboxaldehyde 4-Pyridine carboxyaldehyde 4-Pyridinecarboxaldehyde,Isonicotinaldehyde Isonicotinaldehyde (4-Pyridinecarboxaldehyde) |
| CAS | 872-85-5 |
| EINECS | 212-832-3 |
| InChI | InChI=1/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H |
| InChIKey | BGUWFUQJCDRPTL-UHFFFAOYSA-N |
872-85-5 - Physico-chemical Properties
| Molecular Formula | C6H5NO |
| Molar Mass | 107.11 |
| Density | 1.137 g/mL at 20 °C (lit.) |
| Melting Point | -4--2°C |
| Boling Point | 71-73 °C/10 mmHg (lit.) |
| Flash Point | 130°F |
| Water Solubility | 20 g/L (20 ºC) |
| Solubility | 20g/l |
| Vapor Presure | 0.02 hPa (20 °C) |
| Appearance | liquid (clear) |
| Color | clear brown-yellow |
| BRN | 105342 |
| pKa | 12.05(at 30℃) |
| PH | 7-8 (H2O, 20℃)(saturated aqueous solution) |
| Storage Condition | Store at +2°C to +8°C. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.544(lit.) |
| Physical and Chemical Properties | Yellowish oily liquid. The boiling point is 82-83 ℃(2.13kPa), the relative density is 1.122, and the refractive index is 1.5352(25 ℃). Flash point 54 °c. Soluble in water and ether. |
| Use | Used as a reagent for organic synthesis |
872-85-5 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R10 - Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1989 |
| WGK Germany | 1 |
| RTECS | NR9400000 |
| FLUKA BRAND F CODES | 8-10-23 |
| TSCA | Yes |
| HS Code | 29333999 |
| Hazard Note | Irritant/Keep Cold/Air Sensitive |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg |
872-85-5 - Reference Information
| LogP | 0.12 at 30℃ and pH7 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. 1, synthesis of intermediate of donepezil hydrochloride in the treatment of mild to moderate senile dementia 2, basic Organic synthesis raw material preparation of pyridine-containing polymer (glass beads) for enzyme embedding used as organic synthesis reagent |
| production method | is obtained by oxidation of 4-picoline. A mixed gas of 4-methylpyridine and air was passed through a vanadium-molybdenum catalyst layer heated to 400 ° C., and oxidized to form pyridine-4-carbaldehyde. |
Last Update：2024-04-10 22:29:15
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