4,5-Diphenyl-2-(4-nitrobenzylideneamino)-3-furancarbonitrile
Basic information
- CAS
18031-67-9- Standard SMILES
N#Cc1c(N=Cc2ccc([N+](=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1- InChIKey
IKQZCHVMMIOODJ-UHFFFAOYSA-N- Molecular formula
- C24H15N3O3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.11134135
Names & identifiers
- Preferred name
- 4,5-Diphenyl-2-(4-nitrobenzylideneamino)-3-furancarbonitrile
- IUPAC
- 2-[(4-nitrophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
- English name
- 2-[(E)-[(4-nitrophenyl)methylidene]amino]-4,5-diphenylfuran-3-carbonitrile
- Molecular formula
- C24H15N3O3
- Molecular weight
- 393.4
Names & synonyms
4,5-DIPHENYL-2-(4-NITROBENZYLIDENEAMINO)-3-FURANCARBONITRILERefChem:507868653-555-118031-67-92-((4-Nitrobenzylidene)amino)-4,5-diphenylfuran-3-carbonitrile2-{[(4-Nitrophenyl)methylidene]amino}-4,5-diphenylfuran-3-carbonitrileChemDiv1_019627DTXSID703981483-Furancarbonitrile, 2-[[(4-nitrophenyl)methylene]amino]-4,5-diphenyl-2-[(E)-[(4-nitrophenyl)methylidene]amino]-4,5-diphenylfuran-3-carbonitrile
Database identifiers
- CAS
18031-67-9- PubChem CID
- 3945137
- DTXSID
DTXSID70398148- EC Number
- 653-555-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Melting point
- 186 · 186-188 °C
- Boiling point
- 642.501 · 642.501±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.237 · 1.237±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.048 · -1.048±0.50(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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, 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)
- GHS06
- Hazard statements
- H413-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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