1-Pyrenylmethyl methacrylate
Basic information
- CAS
86112-79-0- Standard SMILES
C=C(C)C(=O)OCc1ccc2ccc3cccc4ccc1c2c34- InChIKey
BUQDPCFXOBQDLX-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- 1-Pyrenylmethyl methacrylate
- IUPAC
- pyren-1-ylmethyl 2-methylprop-2-enoate
- English name
- 1-PYRENYLMETHYL METHACRYLATE
- Molecular formula
- C21H16O2
- Molecular weight
- 300.35
Names & synonyms
86112-79-01-PYRENYLMETHYL METHACRYLATEDTXSID80395683RefChem:235125DTXCID10346542(1-Pyrene)methyl Methacrylatepyren-1-ylmethyl methacrylatepyren-1-ylmethyl 2-methylprop-2-enoate2-Propenoic acid,2-methyl-, 1-pyrenylmethyl ester1-pyrenemethyl methacrylate(pyren-1-yl)methyl 2-methylprop-2-enoateSCHEMBL417057
Show more names
Polyfluor394POLYFLUOR(R) 394Pyrene methacrylatePyrenylmethyl methacrylate3-(MethacryloyloxyMethyl)pyrene(1-pyrene)methylpropyleneacidmethyl esterPyMMA *250 Mg* [(1-Pyrene)Methyl Methacrylate]
SCHEMBL30542093HTS11460MFCD00673248AKOS024269999FP27285AS-81809F875271-Pyrenemethyl methacrylate, contains <100 ppm MEHQ as inhibitor, 99% (GC)
Database identifiers
- CAS
86112-79-0- PubChem CID
- 3733478
- DTXSID
DTXSID80395683- EC Number
- 804-390-0
- Nikkaji
- J814.144D
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Melting point
- 101 · 101-103°C
- Boiling point
- 472.2 · 472.2±14.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- powder
- Appearance
- Off-White to Pale Yellow Solid
- InChI
- InChI=1S/C21H16O2/c1-13(2)21(22)23-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11H,1,12H2,2H3
- InChIKey
- BUQDPCFXOBQDLX-UHFFFAOYSA-N
- SMILES
- C(OCC1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1)(=O)C(C)=C
- CAS DataBase Reference
- 86112 · 86112-79-0
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
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 2 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
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Description(1-Pyrene)methyl Methacrylate is a fluorescent monomer.
UsesA fluorescent labelled monomer
Usesfluorescent monomer
General Description1-Pyrenemethyl methacrylate is a fluorescent methacrylate monomer which is used for synthesising poly methyl methacrylate (PMMA) based optical and fluorescent temperature sensors. These polymeric sensors exhibit reverse solubility transition wherein the polymer is insoluble at low temperatures and is soluble at higher temperatures. These sensors are used as biosensors, in drug delivery, logical gates and optical sensing applications.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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