4'-Fluoro-3-nitrobenzanilide
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Basic information
- CAS
33489-69-9- Standard SMILES
O=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1- InChIKey
YPRHMRVPFAHCJX-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O3
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.05972037
Names & identifiers
- Preferred name
- 4'-Fluoro-3-nitrobenzanilide
- IUPAC
- N-(4-fluorophenyl)-3-nitrobenzamide
- English name
- N-(4-fluorophenyl)-3-nitrobenzamide
- Molecular formula
- C13H9FN2O3
- Molecular weight
- 260.22
Names & synonyms
4'-FLUORO-3-NITROBENZANILIDERefChem:506115668-029-7N-(4-fluorophenyl)-3-nitrobenzamide33489-69-9MFCD000345403-Nitro-N-(4-fluorophenyl)benzamideCambridge id 5273148Oprea1_068642CBDivE_013120SCHEMBL8713931DTXSID90354165
Show more names
4 '- Fluoro-3-nitrobenzoyl anilineBenzamide, N-(4-fluorophenyl)-3-nitro-
YPRHMRVPFAHCJX-UHFFFAOYSA-NSTK259695AKOS000502065N-(4-fluorophenyl)-3-nitro-benzamideBS-28265DB-188439EU-0084431ST45015311
Database identifiers
- CAS
33489-69-9- PubChem CID
- 765293
- DTXSID
DTXSID90354165- EC Number
- 668-029-7
- Nikkaji
- J881.961K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 322.9 · 322.9±27.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 11.51 · 11.51±0.70(Predicted)
- Comptox DTXSID
- 90354165 · DTXSID90354165
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280i-P305+P351+P338-P337+P313
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280i-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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