Basic information
- CAS
85378-36-5- Standard SMILES
Fc1cccc(C=Nc2ccc3ccccc3c2)c1- InChIKey
IWVDSCZVCPBFPH-UHFFFAOYSA-N- Molecular formula
- C17H12FN
- Average molar mass
- 249.28 g/mol
- Monoisotopic mass
- 249.09537755
Names & identifiers
- Preferred name
- N-(3-Fluorobenzylidene)-2-naphthalenamine
- IUPAC
- 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine
- English name
- (3-Fluoro-benzylidene)-naphthalen-2-yl-amine
- Molecular formula
- C17H12FN
- Molecular weight
- 249.28
Names & synonyms
85378-36-5N-(3-FLUOROBENZYLIDENE)-2-NAPHTHALENAMINERefChem:826564657-238-9N-(3-Fluorobenzylidene)naphthalen-2-amine(E)-1-(3-fluorophenyl)-N-(naphthalen-2-yl)methanimine1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimineAKOS024275499ST012489(1E)-2-(3-fluorophenyl)-1-(2-naphthyl)-1-azaethene(3-Fluoro-benzylidene)-naphthalen-2-yl-amine2-Naphthalenamine, N-[(3-fluorophenyl)methylene]-
Database identifiers
- CAS
85378-36-5- PubChem CID
- 720892
- EC Number
- 657-238-9
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 404.1 · 404.1±28.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.50(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · 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
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 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- 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]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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