Grundinformationen
- Standard-SMILES
O=Cc1ccc2ccccc2c1- InChIKey
PJKVFARRVXDXAD-UHFFFAOYSA-N- Summenformel
- C11H8O
- Durchschnittliche Molmasse
- 156,18 g/mol
- Monoisotopische Masse
- 156,05751488
Überblick
2-naphthaldehyde is a naphthaldehyde that is naphthalene substituted by a formyl group at position 2. It has a role as a mouse metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 2-Naphthalenecarboxaldehyde
- IUPAC
- naphthalene-2-carbaldehyde
- Lokaler Name
- 2-Naphthaldehyd
- Englischer Name
- 2-Naphthaldehyde
- Summenformel
- C11H8O
- Molmasse
- 156.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
66-99-9- PubChem CID
- 6201
- DTXSID
DTXSID6075352- ChEMBL
CHEMBL2289234- ChEBI
CHEBI:52368- UNII
- GZX30H50DE
- EC Number
- 200-640-2
- Nikkaji
- J4.847J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 164
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-61 °C (lit.)
- Siedepunkt
- 160 °C · 160 °C (19 mmHg)
- Dichte
- 1.6211 · 1.6211
- Brechungsindex
- 1.6211 · 1.6211 (estimate)
- Flammpunkt
- 160 °C/19mm · 160°C/19mm
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform, Methanol (Sparingly)
- Aggregatzustand
- Powder or Chunks
- Farbe
- Off-white to yellow or light beige
- Wasserlöslichkeit
- Soluble in hot water.
- BRN
- 507750 · 507750
- Henry's Law Constant
- 6 · 6.0×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- InChI
- 1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
- InChIKey
- PJKVFARRVXDXAD-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc2ccccc2c1
- CAS Datenbank
- 66 · 66-99-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Naphthalenecarboxaldehyde(66-99-9)
- EPA chemische Informationen
- 2 · 2-Naphthalenecarboxaldehyde (66-99-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde
2-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29122900
- RTECS-Nr.
- QJ0190010
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Anwendungen
Verwenden2-Naphthaldehyde aids in stereo-selective formation of bicyclo 2-siloxy-2-alkoxyoxetanes. It is also used as catalytic agent and petrochemical additive.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.
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