Grundinformationen
- Standard-SMILES
OCc1ccccn1- InChIKey
SHNUBALDGXWUJI-UHFFFAOYSA-N- Summenformel
- C6H7NO
- Durchschnittliche Molmasse
- 109,13 g/mol
- Monoisotopische Masse
- 109,05276384
Überblick
2-Pyridinylmethanol is a member of pyridines.
Namen und Bezeichner
- Bevorzugter Name
- Piconol
- IUPAC
- pyridin-2-ylmethanol
- Lokaler Name
- 2-Pyridylmethanol
- Englischer Name
- 2-(Hydroxymethyl)pyridine
- Summenformel
- C6H7NO
- Molmasse
- 109.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
586-98-1- PubChem CID
- 11474
- DTXSID
DTXSID8046531- ChEMBL
CHEMBL2103981- ChEBI
CHEBI:195070- UNII
- 7HQ8UT1TPS
- EC Number
- 209-592-7
- Nikkaji
- J32.889H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 65,5
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 5 °C · 5 °C
- Siedepunkt
- 112 · 112-113 °C/16 mmHg (lit.)
- Dichte
- 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
- Dampfdruck
- 3.47 Pa · 3.47Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.543(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- miscible
- Aggregatzustand
- Liquid
- pka
- 13.48 · 13.48±0.10(Predicted)
- Farbe
- Clear colorless to yellow or brown
- Wichte
- 1.131 · 1.131
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- Geruch (Odor)
- pyridine odor
- Wasserlöslichkeit
- miscible
- BRN
- 107849 · 107849
- InChI
- 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
- InChIKey
- SHNUBALDGXWUJI-UHFFFAOYSA-N
- SMILES
- OCc1ccccn1
- LogP
- 0.11 · 0.11
- CAS Datenbank
- 586 · 586-98-1(CAS DataBase Reference)
- NIST chemische Informationen
- Piconol(586-98-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19922
2-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 3-8
- wgk
- 3
- hs_code
- 29333999
- RTECS-Nr.
- UT4689000
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Keep Cold/Hygroscopic
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT, HYGROSCOPIC, KEEP COLD
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwendendecongestant
Darstellung
synthetischeThe preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.
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