Pyridin-4-carbaldehyd

4-Pyridinecarboxaldehyde

HCID 13389CAS 872-85-5
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Grundinformationen

Standard-SMILES
O=Cc1ccncc1
InChIKey
BGUWFUQJCDRPTL-UHFFFAOYSA-N
Summenformel
C6H5NO
Durchschnittliche Molmasse
107,11 g/mol
Monoisotopische Masse
107,03711378

Namen und Bezeichner

Bevorzugter Name
4-Pyridinecarboxaldehyde
IUPAC
pyridine-4-carbaldehyde
Lokaler Name
Pyridin-4-carbaldehyd
Englischer Name
4-Pyridinecarboxaldehyde
Summenformel
C6H5NO
Molmasse
107.11

Namen und Synonyme

4-PyridinecarboxaldehydeIsonicotinaldehydePyridine-4-carbaldehyde4-FORMYLPYRIDINEIsonicotinic aldehyde4-Pyridinealdehydep-Pyridinealdehydep-Formylpyridine4-Pyridylaldehyde4-PyridinecarbaldehydeNSC 8953Pyridine-4-aldehyde
Weitere Namen anzeigen
PYRIDINE-4-CARBOXALDEHYDEISONICOTINEALDEHYDE4-pyrdine aldehydePyridine-4-aldehylde
EINECS 212-832-3AI3-33232NSC-8953EC 212-832-3pyridin-4-ylcarboxaldehydeDTXSID1061237P5775574924formylpyridine

Datenbank-Bezeichner

CAS
872-85-5
PubChem CID
13389
DTXSID
DTXSID1061237
ChEMBL
CHEMBL2251606
UNII
P577557492
EC Number
212-832-3
Nikkaji
J28.013E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
30 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Density1.137 @25 °C
Vapor Pressure0.56 [mmHg]
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 2 Einträge

1025

1668

Physikochemische Eigenschaften

Schmelzpunkt
-4 · -4--2°C
Siedepunkt
71 · 71-73 °C/10 mmHg (lit.)
Dichte
1.137 g/mL · 1.137 g/mL at 20 °C (lit.)
Dampfdruck
0.02 hPa · 0.02 hPa (20 °C)
Brechungsindex
20 · n20/D 1.544(lit.)
Flammpunkt
130 °F · 130 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (22.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 27-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10172

Isonicotinaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May cause skin sensitization; [Alfa Aesar MSDS] See Pyridine-2-carbaldehyde. Search for (872-85-5[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesSkin Corr. 1B (11.1%)；Skin Irrit. 2 (88.9%)；Skin Sens. 1 (22.2%)；Eye Irrit. 2 (85.2%)；STOT SE 3 (83.3%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

7.1 [mg/m3]

78 [mg/m3]

470 [mg/m3]

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 27-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10172

Isonicotinaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
8-10-23
wgk
1
tsca
TSCA listed
ridadr
UN 1989
hs_code
29333999
RTECS-Nr.
NR9400000

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information4-Pyridinecarboxaldehyde: ACTIVE

Anwendungen

Verwenden4-Pyridinecarboxaldehyde, is an heterocyclic building block used for the synthesis of various pharmaceutical compounds, such as new 1,4-dihydropyridin-4-yl-phenoxyacetohydrazones, having anticonvulsant and anti-inflammatory properties.

Darstellung

synthetische4-Pyridinecarbaldehyde is synthesized by oxidation of 4-picoline. The mixed gas of 4-picoline and air is passed through the vanadium-molybdenum catalyst layer heated to 400°C, and oxidized to generate 4-pyridinecarbaldehyde.

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]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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