2-[1-Amino-2-(4-fluorophenoxy)ethylidene]malononitrile
Basic information
- CAS
343375-38-2- Standard SMILES
N#CC(C#N)=C(N)COc1ccc(F)cc1- InChIKey
NNLDSVVWXFNCNC-UHFFFAOYSA-N- Molecular formula
- C11H8FN3O
- Average molar mass
- 217.2 g/mol
Names & identifiers
- Preferred name
- 2-[1-Amino-2-(4-fluorophenoxy)ethylidene]malononitrile
- IUPAC
- 2-[1-amino-2-(4-fluorophenoxy)ethylidene]propanedinitrile
- English name
- 2-[1-Amino-2-(4-fluorophenoxy)ethylidene]malononitrile
- Molecular formula
- C11H8FN3O
- Molecular weight
- 217.2
Names & synonyms
2-[1-Amino-2-(4-fluorophenoxy)ethylidene]malononitrile343375-38-21284228-23-42-[1-amino-2-(4-fluorophenoxy)ethylidene]propanedinitrile2-(1-Amino-2-(4-fluorophenoxy)ethylidene)malononitrileMFCD001392002-[1-Amino-2-(4-fluorophenoxy)ethylidene]-malononitrileBionet2_000021Oprea1_713690HMS1364A21SBB095384AKOS005071018
Show more names
2-[1-AMINO-2-(4-FLUOROPHENOXY)ETHYLLIDENE]MALONONITRILEPropanedinitrile, 2-[1-amino-2-(4-fluorophenoxy)ethylidene]-
CS-03246097C-019[1-amino-2-(4-fluorophenoxy)ethylidene]methane-1,1-dicarbonitrile
Database identifiers
- CAS
343375-38-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 189 · 189-191°C
- Boiling point
- 523.6 · 523.6±50.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- -0.62 · -0.62±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361-P363-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361-P363-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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