Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester

HCID 613145CAS 10273-84-4

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Grundinformationen

Standard-SMILES: CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12
InChIKey: BVPQUFPFMVPKTA-UHFFFAOYSA-N
Summenformel: C20H18O4
Durchschnittliche Molmasse: 322,4 g/mol
Monoisotopische Masse: 322,12050905

Namen und Bezeichner

Bevorzugter Name: Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
IUPAC: [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
Englischer Name: (10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate
Summenformel: C20H18O4
Molmasse: 322.35

Namen und Synonyme

ACETIC ACID 10-ACETOXYMETHYL-ANTHRACEN-9-YLMETHYL ESTERRefChem:551884682-982-610273-84-4Anthracene-9,10-diylbis(methylene) diacetate[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate(10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate9,10-Anthracenedimethanol, 9,10-diacetate{10-[(acetyloxy)methyl]anthracen-9-yl}methyl acetateBIDD:GT0241SCHEMBL4647196SCHEMBL29853925

Weitere Namen anzeigen

9,10-Bis-acetoxymethyl-anthracen9,10-Bis(Bromethyl)AnthraceneAnthracene-9,10-diylbis(methyl) diacetateanthracene-9，10-diylbis(methylene) diacetic acidester

DTXSID503465469,10-bis(acetoxymethyl)anthraceneMFCD00229356NSC8436959,10-Anthracenedimethanol, diacetateAKOS024331822HS-3284NSC-843695

Datenbank-Bezeichner

CAS: 10273-84-4
PubChem CID: 613145
DTXSID: DTXSID50346546
EC Number: 682-982-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 24
Formalladung: 0
Komplexität: 395

Physikochemische Eigenschaften

Schmelzpunkt: 224 · 224-225 °C
Siedepunkt: 480.3 · 480.3±25.0 °C(Predicted)
Dichte: 1.224 · 1.224±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.