4-Aminofluorenone
Basic information
- CAS
4269-15-2- Standard SMILES
Nc1cccc2c1-c1ccccc1C2=O- InChIKey
FFWCEONGEXZNFU-UHFFFAOYSA-N- Molecular formula
- C13H9NO
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.06841391
Names & identifiers
- Preferred name
- 4-Aminofluorenone
- IUPAC
- 4-aminofluoren-9-one
- English name
- 4-Amino-9-fluorenone
- Molecular formula
- C13H9NO
- Molecular weight
- 195.22
Names & synonyms
4-Amino-9-fluorenone4269-15-24-Amino-9H-fluoren-9-one4-AminofluorenoneFLUOREN-9-ONE, 4-AMINO-9H-Fluoren-9-one, 4-amino-EINECS 224-257-51O6X3ML5IPNSC 22836BRN 2804575NSC-22836DTXSID80195387
Show more names
TIMTEC-BB SBB0003414-amino-fluoren-9-on9H-Fluoren-9-one,4-amino-
4-14-00-00313 (Beilstein Handbook Reference)RefChem:518228DTXCID90117878224-257-54-aminofluoren-9-one4-Amino-fluorenonNSC228364-amino-fluoren-9-one
Database identifiers
- CAS
4269-15-2- PubChem CID
- 20267
- DTXSID
DTXSID80195387- ChEMBL
CHEMBL386818- UNII
- 1O6X3ML5IP
- EC Number
- 224-257-5
- Nikkaji
- J69.721D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 138 · 138-140 °C (lit.)
- Boiling point
- 331.88 °C · 331.88°C (rough estimate)
- Density
- 1.1266 · 1.1266 (rough estimate)
- refractive index
- 1.606 · 1.6060 (estimate)
- pka
- 2.38 · 2.38±0.20(Predicted)
- form
- Powder
- color
- Orange
- InChI
- 1S/C13H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H,14H2
- InChIKey
- FFWCEONGEXZNFU-UHFFFAOYSA-N
- SMILES
- Nc1cccc2C(=O)c3ccccc3-c12
- CAS DataBase Reference
- 4269 · 4269-15-2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 O6X3ML5IP · 1O6X3ML5IP
- Comptox DTXSID
- 80195387 · DTXSID80195387
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 8980300 · LL8980300
- HS Code
- 2922399090 · 2922399090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- LL8980300
- hs_code
- 2922399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-9-fluorenone was used in a study on determination of major contaminants in water samples from gas plant by using particle beam interface LC-coupled to a single quadrupole mass spectrometer. It was used as starting reagent for the synthesis of 4-methoxy-9-fluorenone.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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