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 |
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 |
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 |
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. |