Grundinformationen
- Standard-SMILES
O=Cc1c(O)ccc2ccccc12- InChIKey
NTCCNERMXRIPTR-UHFFFAOYSA-N- Summenformel
- C11H8O2
- Durchschnittliche Molmasse
- 172,18 g/mol
- Monoisotopische Masse
- 172,0524295
Überblick
2-hydroxy-1-naphthaldehyde is a member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). It is a member of naphthols and a member of naphthaldehydes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxy-1-naphthaldehyde
- IUPAC
- 2-hydroxynaphthalene-1-carbaldehyde
- Lokaler Name
- 2-Hydroxy-1-naphthaldehyd
- Englischer Name
- 2-Hydroxy-1-naphthaldehyde
- Summenformel
- C11H8O2
- Molmasse
- 172.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
708-06-5- PubChem CID
- 12819
- DTXSID
DTXSID9061041- ChEMBL
CHEMBL3265255- ChEBI
CHEBI:137369- UNII
- PP9CFN7QNL
- EC Number
- 211-902-0
- Nikkaji
- J40.507H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 191
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-80 °C (lit.)
- Siedepunkt
- 192 °C/27 · 192 °C/27 mmHg (lit.)
- Dichte
- 1.1153 · 1.1153 (rough estimate)
- Dampfdruck
- 0.002 Pa · 0.002Pa at 20℃
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 191 · 191-193°C/27mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Methanol
- pka
- 8.27 · 8.27±0.50(Predicted)
- Aggregatzustand
- Crystalline Moist Powder
- Farbe
- Yellow
- Wasserlöslichkeit
- Soluble in water (40 g/L at 20°C).
- BRN
- 742777 · 742777
- LogP
- 6 at · 6 at 23℃ and pH8
- CAS Datenbank
- 708 · 708-06-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Naphthalenecarboxaldehyde, 2-hydroxy-(708-06-5)
- EPA chemische Informationen
- 1 · 1-Naphthalenecarboxaldehyde, 2-hydroxy- (708-06-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H400 (99.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde, 2-hydroxy-
Status: Active Update: 24-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16591
1-Naphthalenecarboxaldehyde, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes effects on food intake, muscle contraction or spasticity, and dyspnea in intraperitoneal lethal-dose studies of mice and rats; Causes decreased urine volume, changes in clotting factors, and changes in leukocyte count in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29124990
- RTECS-Nr.
- QJ0300000
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61-24/25-37
- hazard_class
- 9
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Hydroxy-1-naphthaldehyde is used in Merrified-type synthesis to deterime free amino acid groups in polymers.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…