Anthracen-9-carbaldehyd
9-Anthracenecarboxaldehyde
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Grundinformationen
- CAS
642-31-9- Standard-SMILES
O=Cc1c2ccccc2cc2ccccc12- InChIKey
YMNKUHIVVMFOFO-UHFFFAOYSA-N- Summenformel
- C15H10O
- Durchschnittliche Molmasse
- 206,24 g/mol
- Monoisotopische Masse
- 206,07316494
Namen und Bezeichner
- Bevorzugter Name
- 9-Anthracenecarboxaldehyde
- IUPAC
- anthracene-9-carbaldehyde
- Lokaler Name
- Anthracen-9-carbaldehyd
- Englischer Name
- 9-Anthraldehyde
- Summenformel
- C15H10O
- Molmasse
- 206.24
Namen und Synonyme
9-Anthraldehyde642-31-99-Anthracenecarboxaldehyde9-Formylanthracene9-Anthrylaldehyde9-anthracene aldehydeNSC-15DTXSID9060940353S277YHYRefChem:549188DTXCID3044253211-383-0
Weitere Namen anzeigen
anthraldehydeAKOS B0298499-AnthaldehydeAKOS BBS-00003154
Anthracene-9-carbaldehyde9-Anthracenecarbaldehyde9-AnthrylcarboxaldehydeAnthracene-9-carboxaldehyde9-anthracenaldehydeMFCD00001254Anthracene-9-aldehyde9-Anthracenealdehyde
Datenbank-Bezeichner
- CAS
642-31-9- PubChem CID
- 69504
- DTXSID
DTXSID9060940- ChEMBL
CHEMBL4447118- UNII
- 353S277YHY
- EC Number
- 211-383-0
- Nikkaji
- J45.218A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 238
Experimentelle und physikochemische Eigenschaften
Physical DescriptionGold colored powder; [Alfa Aesar MSDS]
Kovats Retention Index
2094；368.3
357.3；356.6
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 · 103-105 °C (lit.)
- Siedepunkt
- 305.09 °C · 305.09°C (rough estimate)
- Dichte
- 1.0701 · 1.0701 (rough estimate)
- Brechungsindex
- 1.6324 · 1.6324 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in toluene.
- Aggregatzustand
- Crystalline Powder or Needles
- Farbe
- Yellow
- BRN
- 639167 · 639167
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
- InChIKey
- YMNKUHIVVMFOFO-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1c2ccccc2cc3ccccc13
- CAS Datenbank
- 642 · 642-31-9(CAS DataBase Reference)
- NIST chemische Informationen
- 9 · 9-Anthracenecarboxaldehyde(642-31-9)
- EPA chemische Informationen
- 9 · 9-Anthracenecarboxaldehyde (642-31-9)
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
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 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
Chemical: 9-Anthracenecarboxaldehyde
Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18857
9-Anthracenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Acute Tox. 4 (28.6%)；Skin Irrit. 2 (71.4%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (28.6%)
Regulatorische Informationen
Regulatory Information
Chemical: 9-Anthracenecarboxaldehyde
Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18857
9-Anthracenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2912299000
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 24/25-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites9-anthraldehyde has known human metabolites that include 9-Anthracenecarboxylic acid.
Verwendung und Herstellung
UsesSubstrate for microsomal aldehyde oxygenase activity. [ChemIDplus]
General Manufacturing Information9-Anthracenecarboxaldehyde: INACTIVE
Anwendungen
Verwenden9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.
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