Methyl 9-anthracenecarboxylate
Basic information
- CAS
1504-39-8- Standard SMILES
COC(=O)c1c2ccccc2cc2ccccc12- InChIKey
PHOYNPDEAQEHQR-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- Methyl 9-anthracenecarboxylate
- IUPAC
- methyl anthracene-9-carboxylate
- English name
- 9-Anthracenecarboxylic acid methyl
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
Methyl 9-anthracenecarboxylateRefChem:817576661-316-81504-39-8methyl anthracene-9-carboxylate9-Anthracenecarboxylic acid methyl ester9-Methoxycarbonylanthracene9-Anthracenecarboxylic acid methyl9-Anthracenecarboxylic acid, methyl esterMethyl 9-anthroate9-Anthroic acid, methyl estermethylanthracene-9-carboxylate
Show more names
1-(1-bromo-2-naphthalenyl)-N,N-dimethylmethanamine
SCHEMBL10559440SCHEMBL27508392DTXSID50933935NSC176183AKOS015852095NSC 176183NSC-176183Anthracene-9-carboxylic acid methyl ester
Database identifiers
- CAS
1504-39-8- PubChem CID
- 98905
- DTXSID
DTXSID50933935- EC Number
- 661-316-8
- Nikkaji
- J80.213A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP3.83
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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