| Identification | More | [Name]
3-Pyridinecarboxaldehyde | [CAS]
500-22-1 | [Synonyms]
3-PYRIDINECARBALDEHYDE
3-PYRIDINECARBOXALDEHYDE
AKOS BBS-00003148
AURORA KA-3059
NICOTINALDEHYDE
PYRIDINE-3-ALDEHYDE
PYRIDINE-3-CARBALDEHYDE
PYRIDINE-3-CARBOXALDEHYDE
TIMTEC-BB SBB004359
3-Formylpyridine
3-Nicotinaldehyde
3-Pyridinaldehyde
3-Pyridinealdehyde
3-Pyridylaldehyde
3-Pyridylcarboxaldehyde
3-Pyridylcarboxaldehyde DEG
beta-Pyridinecarbonaldehyde
Nicotinealdehyde
Nicotinic aldehyde
nicotinicaldehyde | [EINECS(EC#)]
207-900-4 | [Molecular Formula]
C6H5NO | [MDL Number]
MFCD00006382 | [Molecular Weight]
107.11 | [MOL File]
500-22-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow to light brown liquid | [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) | [form ]
liquid (clear)
| [pka]
3.43±0.10(Predicted) | [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 | [Cosmetics Ingredients Functions]
ANTIMICROBIAL | [InChI]
1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H | [InChIKey]
QJZUKDFHGGYHMC-UHFFFAOYSA-N | [SMILES]
[H]C(=O)c1cccnc1 | [LogP]
0.290 | [CAS DataBase Reference]
500-22-1(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Pyridinecarboxaldehyde(500-22-1) | [EPA Substance Registry System]
500-22-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H302-H315-H317-H335-H412 | [Precautionary statements ]
P210-P233-P273-P280-P301+P312-P303+P361+P353 | [Hazard Codes ]
Xi,C,Xn | [Risk Statements ]
R10:Flammable.
R37/38:Irritating to respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R41:Risk of serious damage to eyes.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [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 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 3
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 | [Toxicity]
LD50 orally in Rabbit: 2355 mg/kg |
| Hazard Information | Back Directory | [Description]
Pyridine-3-carbaldehyde, also known as nicotinaldehyde or 3-Pyridinecarboxaldehyde, belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. 3-pyridinecarboxaldehyde is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Pyridine-3-carbaldehyde, an aldehyde containing a nitrogen atom, reacts faster than benzaldehyde with diethylzinc to afford enantioenriched 3-pyridyl alkanol in a reaction in which the same chiral catalyst, i.e., (1S,2R)-N, N-dibutylnorephedrine, is used.
| [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. | [Application]
3-Pyridinecarboxaldehyde is used as a pharmaceutical synthesis intermediate. It can be used in a coupling reaction to synthesise a novel dual inhibitor of thromboxane A2 synthase and 5-lipoxygenase, 5,7-dimethyl-6-hydroxy-2-methylamino-4-(3-pyridinylmethyl)benzothiazole (E3040). | [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.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|