2-{[(4-Fluorophenyl)imino]methyl}-4-nitrophenol
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Basic information
- CAS
316131-10-9- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(F)cc2)c1- InChIKey
BZFOIXXBYDIQTE-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O3
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.05972032
Names & identifiers
- Preferred name
- 2-{[(4-Fluorophenyl)imino]methyl}-4-nitrophenol
- IUPAC
- 2-[(4-fluorophenyl)iminomethyl]-4-nitrophenol
- English name
- 2-{[(4-fluorophenyl)imino]methyl}-4-nitrophenol
- Molecular formula
- C13H9FN2O3
- Molecular weight
- 260.22
Names & synonyms
2-{[(4-FLUOROPHENYL)IMINO]METHYL}-4-NITROPHENOL316131-10-92-(((4-Fluorophenyl)imino)methyl)-4-nitrophenol2-[(E)-[(4-fluorophenyl)imino]methyl]-4-nitrophenol2-[(4-fluorophenyl)iminomethyl]-4-nitrophenol2-{(E)-[(4-fluorophenyl)imino]methyl}-4-nitrophenol2-[(1E)-2-(4-fluorophenyl)-2-azavinyl]-4-nitrophenolSCHEMBL22624760BBL023806MFCD00432327SBB080644STL069566
Show more names
Phenol, 2-[[(4-fluorophenyl)imino]methyl]-4-nitro-
AKOS000503332ST010349VS-07519
Database identifiers
- CAS
316131-10-9- PubChem CID
- 710206
- EC Number
- 167-354-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 443.1 · 443.1±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 5.41 · 5.41±0.16(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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