Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
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Basic information
- CAS
10273-84-4- 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 propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- 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)
- Comptox DTXSID
- 50346546 · DTXSID50346546
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
222 records
Compound notes
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