Nicotinaldehyd

3-Pyridinecarboxaldehyde

HCID 10371CAS 500-22-1
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Grundinformationen

Standard-SMILES
O=Cc1cccnc1
InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-N
Summenformel
C6H5NO
Durchschnittliche Molmasse
107,11 g/mol
Monoisotopische Masse
107,03711378

Überblick

Pyridine-3-carbaldehyde is a pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.

Namen und Bezeichner

Bevorzugter Name
3-Pyridinecarboxaldehyde
IUPAC
pyridine-3-carbaldehyde
Lokaler Name
Nicotinaldehyd
Englischer Name
3-Pyridinecarboxaldehyde
Summenformel
C6H5NO
Molmasse
107.11

Namen und Synonyme

3-PyridinecarboxaldehydeNicotinaldehyde500-22-1Pyridine-3-carbaldehyde3-PyridinaldehydeNicotinic aldehyde3-Pyridylcarboxaldehyde3-FORMYLPYRIDINE3-PyridylaldehydeRowalind840R4IDQ1TNSC-8952
Weitere Namen anzeigen
3-NicotinaldehydeNicotinaldehyde 98%3-PYRIDINECARBALDEHYDE3-PYRIDINECARBOXYALDEHYDE
DTXSID2022044CHEBI:28345RefChem:95393DTXCID002044207-900-4Pyridine-3-carboxaldehydeNicotinealdehydePyridine-3-aldehyde

Datenbank-Bezeichner

CAS
500-22-1
PubChem CID
10371
DTXSID
DTXSID2022044
ChEMBL
CHEMBL268493
ChEBI
CHEBI:28345
UNII
840R4IDQ1T
EC Number
207-900-4
Nikkaji
J28.015A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
30 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesCoriolis coupling
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.29
Vapor Pressure0.56 [mmHg]
Physical DescriptionPale yellow liquid; mp = 8 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
8 °C · 8°C
Siedepunkt
78 · 78-81 °C/10 mmHg (lit.)
Dichte
1.141 g/mL · 1.141 g/mL at 20 °C (lit.)
Dampfdruck
0.3 hPa · 0.3 hPa (20 °C)
Brechungsindex
20 · n20/D 1.549(lit.)
Flammpunkt
140 °F · 140 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (61.3%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 3-Pyridinecarboxaldehyde

3-Pyridinecarbaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; May cause skin sensitization; [Alfa Aesar MSDS] Search for (500-22-1[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesFlam. Liq. 3 (61.3%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
8-10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1989 3/PG 3
hs_code
29333999
RTECS-Nr.
QS2980000

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information3-Pyridinecarboxaldehyde: ACTIVE
Anwendungen · 2 Einträge

BeschreibungPyridine-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.

Verwenden3-Pyridinecarboxaldehyde is a substituted pyridine with niacin activity. 3-Pyridinecarboxaldehyde is a component of tobacco smoke.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东玖玥生物科技有限公司18853316981

Ergänzende Hinweise

DefinitionChEBI: A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.

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