4-(Pyridin-3-yl)benzaldehyde
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Grundinformationen
- CAS
127406-55-7- Standard-SMILES
O=Cc1ccc(-c2cccnc2)cc1- InChIKey
NXZUVHZZIZHEOP-UHFFFAOYSA-N- Summenformel
- C12H9NO
- Durchschnittliche Molmasse
- 183,21 g/mol
- Monoisotopische Masse
- 183,06841391
Namen und Bezeichner
- Bevorzugter Name
- 4-(Pyridin-3-yl)benzaldehyde
- IUPAC
- 4-pyridin-3-ylbenzaldehyde
- Englischer Name
- 4-(Pyridin-3-yl)benzaldehyde
- Summenformel
- C12H9NO
- Molmasse
- 183.21
Namen und Synonyme
4-(Pyridin-3-yl)benzaldehyde127406-55-7DTXSID70395132RefChem:289409DTXCID30345991625-177-74-Pyridin-3-yl-benzaldehyde4-(3-Pyridyl)benzaldehyde4-(3-Pyridinyl)benzaldehydeBenzaldehyde, 4-(3-pyridinyl)-4-pyridin-3-ylbenzaldehydeMFCD01631910
Weitere Namen anzeigen
AKOS BAR-0413SALOR-INT L300101-1EA4-(2-Methoxypyridin-3-yl)benzal4-(Pyridin-3-yl)benzaldehyde97%
3-(4-Formylphenyl)pyridineAKOS004114060CS-W019958PS-3597EN300-7455844-pyrid-3-ylbenzaldehydeSCHEMBL6172orb3029564
Datenbank-Bezeichner
- CAS
127406-55-7- PubChem CID
- 3693046
- DTXSID
DTXSID70395132- EC Number
- 625-177-7
- Nikkaji
- J2.025.330D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 185
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-57 °C
- Siedepunkt
- 350.6 · 350.6±25.0 °C(Predicted)
- Dichte
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 4.47 · 4.47±0.10(Predicted)
- Farbe
- White to Yellow to Orange
- InChI
- 1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H
- InChIKey
- NXZUVHZZIZHEOP-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(cc1)-c2cccnc2
- CAS Datenbank
- 127406 · 127406-55-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-22
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Zugehörige Reaktionen
32
Notizen zur Verbindung
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