Anthracen-9-carbaldehyd

9-Anthracenecarboxaldehyde

HCID 69504CAS 642-31-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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 Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Physical DescriptionGold colored powder; [Alfa Aesar MSDS]
Kovats Retention Index · 2 Einträge

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.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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 · 3 Einträge

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
29122900
risk_code
36/37/38-20/21/22
hazard_code
Xn
safety_code
24/25-36

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 · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Zugehörige Reaktionen

23
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…