Basic information
- CAS
62875-52-9- Standard SMILES
CCOC(=O)C(C#N)C(c1cccc2ccccc12)c1cccc2ccccc12- InChIKey
RRDOGGURDLJRMR-UHFFFAOYSA-N- Molecular formula
- C26H21NO2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.15722891
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3,3-DI(1-naphthyl)propionate
- IUPAC
- ethyl 2-cyano-3,3-dinaphthalen-1-ylpropanoate
- English name
- Ethyl 2-cyano-3,3-di(1-naphthyl)propionate
- Molecular formula
- C26H21NO2
- Molecular weight
- 379.45
Names & synonyms
ETHYL 2-CYANO-3,3-DI(1-NAPHTHYL)PROPIONATERefChem:594317665-835-0ethyl 2-cyano-3,3-di(naphthalen-1-yl)propanoate62875-52-9ethyl 2-cyano-3,3-bis(naphthalen-1-yl)propanoateNSC59957NCIOpen2_007700CHEMBL392975SCHEMBL4661479DTXSID50289247RRDOGGURDLJRMR-UHFFFAOYSA-N
Show more names
1-Naphthalenepropanoic acid, α-cyano-β-1-naphthalenyl-, ethyl ester
NSC-59957AKOS024324055Ethyl 2-cyano-3,3-di(1-naphthyl)propanoate2-cyano-3,3-di-naphthalen-1-yl-propionic acid ethyl ester
Database identifiers
- CAS
62875-52-9- PubChem CID
- 246643
- DTXSID
DTXSID50289247- ChEMBL
CHEMBL392975- EC Number
- 665-835-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Melting point
- 191 °C · 191 °C(Solv: ethanol, 95% (64-17-5))
- Boiling point
- 602.4 · 602.4±50.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 410 · H410-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H410-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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