Basic information
- CAS
301350-09-4- Standard SMILES
CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
HPPCHEBOSLGNRL-FMIVXFBMSA-N- Molecular formula
- C16H12N2O5
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.07462149
Names & identifiers
- Preferred name
- ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
- IUPAC
- ethyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
- English name
- ethyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
- Molecular formula
- C16H12N2O5
- Molecular weight
- 312.28
Names & synonyms
301350-09-4ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate(E)-ethyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylateethyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoateSTK742492AKOS002162932F0879-0009ethyl (Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate2-CYANO-3-(5-(3-NITRO-PHENYL)-FURAN-2-YL)-ACRYLIC ACID ETHYL ESTER2-Propenoic acid, 2-cyano-3-[5-(3-nitrophenyl)-2-furanyl]-, ethyl ester
Database identifiers
- CAS
301350-09-4- PubChem CID
- 787019
- EC Number
- 148-738-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 495.662 · 495.662±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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