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

HCID 613145CAS 10273-84-4

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Basic information

Standard SMILES: CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12
InChIKey: BVPQUFPFMVPKTA-UHFFFAOYSA-N
Molecular formula: C20H18O4
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.12050905

Names & identifiers

Preferred name: Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
IUPAC: [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
English name: (10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate
Molecular formula: C20H18O4
Molecular weight: 322.35

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 395

Physicochemical properties

Melting point: 224 · 224-225 °C
Boiling point: 480.3 · 480.3±25.0 °C(Predicted)
Density: 1.224 · 1.224±0.06 g/cm3(Predicted)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 273 · P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.