3-Pyridinecarboxaldehyde

3-Pyridinecarboxaldehyde Basic information

Product Name:	3-Pyridinecarboxaldehyde
Synonyms:	3-Formylpyridine;3-Nicotinaldehyde;3-Pyridinaldehyde;3-Pyridinealdehyde;3-Pyridylaldehyde;3-Pyridylcarboxaldehyde;3-Pyridylcarboxaldehyde DEG;beta-Pyridinecarbonaldehyde
CAS:	500-22-1
MF:	C6H5NO
MW:	107.11
EINECS:	207-900-4
Product Categories:	Heterocyclic Compounds;Pyridine;Aldehydes;Building Blocks;C1 to C6;C6;Carbonyl Compounds;Chemical Synthesis;Heterocyclic Building Blocks;Organic Building Blocks;Pyridines;bc0001
Mol File:	500-22-1.mol

3-Pyridinecarboxaldehyde Chemical Properties

Melting point	8°C
Boiling point	78-81 °C/10 mmHg (lit.)
density	1.141 g/mL at 20 °C (lit.)
vapor pressure	0.3 hPa (20 °C)
refractive index	n20/D 1.549(lit.)
Fp	140 °F
storage temp.	2-8°C
solubility	Chloroform (Sparingly), Methanol (Slightly)
pka	3.43±0.10(Predicted)
form	liquid (clear)
color	clear brown-yellow
Specific Gravity	1.145 (20/4℃)
PH	5.4 (111g/l, H2O, 20℃)
Water Solubility	miscible
Sensitive	Air Sensitive
BRN	105343
InChIKey	QJZUKDFHGGYHMC-UHFFFAOYSA-N
LogP	0.290
CAS DataBase Reference	500-22-1(CAS DataBase Reference)
NIST Chemistry Reference	3-Pyridinecarboxaldehyde(500-22-1)
EPA Substance Registry System	3-Pyridinecarboxaldehyde (500-22-1)

Safety Information

Hazard Codes	Xi,C,Xn
Risk Statements	10-37/38-42/43-41-34-43-22-36/37/38
Safety Statements	26-39-45-36/37/39-23
RIDADR	UN 1989 3/PG 3
WGK Germany	3
RTECS	QS2980000
F	8-10-23
Hazard Note	Irritant/Keep Cold/Air Sensitive
TSCA	Yes
HazardClass	3.2
PackingGroup	III
HS Code	29333999
Toxicity	LD50 orally in Rabbit: 2355 mg/kg

MSDS Information

3-Pyridinecarboxaldehyde Usage And Synthesis

Chemical Properties	clear yellow to light brown liquid
Uses	3-Pyridinecarboxaldehyde is a substituted pyridine with niacin activity. 3-Pyridinecarboxaldehyde is a component of tobacco smoke.
Definition	ChEBI: A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.
Synthesis Reference(s)	Synthetic Communications, 21, p. 1777, 1991 DOI: 10.1080/00397919108021576 Tetrahedron, 32, p. 2549, 1976 DOI: 10.1016/0040-4020(76)88025-8 Tetrahedron Letters, 35, p. 8019, 1994 DOI: 10.1016/0040-4039(94)80038-3
Purification Methods	Purified as for pyridine-2-aldehyde. [Beilstein 21 I 288, 21 III/IV 3517, 21/7 V 334.]

3-Pyridinecarboxaldehyde Preparation Products And Raw materials

Raw materials	Methanol-->Tetrahydrofuran-->N,N-Dimethylformamide-->Toluene-->n-Butyllithium-->3-Cyanopyridine-->acetonitrile-->3-Pyridyl bromide-->N-Methoxy-N-methylnicotinamide-->nicotinic anhydride-->N,N-DIETHYLNICOTINAMIDE-->3-(AMINOMETHYL)PYRIDINE-->Nicotinamide-->3-Pyridinemethanol-->Nicotinic acid
Preparation Products	3-(pyridin-3-yl)propanal-->4-Pyridinepropanol-->PYRIDIN-3-YLMETHYL-HYDRAZINE-->3-Picolyl chloride hydrochloride-->Pymetrozine

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