4-Dibenzofuranamine
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Basic information
- CAS
50548-43-1- Standard SMILES
Nc1cccc2c1oc1ccccc12- InChIKey
QKBTTXJHJNXCOQ-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 4-Dibenzofuranamine
- IUPAC
- dibenzofuran-4-amine
- English name
- 4-AMINODIBENZOFURAN
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
4-Dibenzofuranamine50548-43-14-AminodibenzofuranDTXSID80332639RefChem:98755DTXCID20283732QKBTTXJHJNXCOQ-UHFFFAOYSA-Ndibenzofuran-4-amineDibenzo[b,d]furan-4-amineMFCD11110988Dibenzo[b,d]furan-4-amine #SCHEMBL2342912
Show more names
4-Aminooxyfluorene4-Dibenzofuranamine HCl4-Dibenzofuranamine hydrochloride
AKOS006306679CS-0112415C753681-Isopropyl-4-(vinyloxy)benzeneAMY8759A7493FT-0728847DS-11551
Database identifiers
- CAS
50548-43-1- PubChem CID
- 459351
- DTXSID
DTXSID80332639- EC Number
- 835-946-0
- Nikkaji
- J89.561J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 113.5 · 113.5-114.5℃
- Boiling point
- 369.1 · 369.1±15.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder to crystal
- pka
- 3.51 · 3.51±0.30(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C12H9NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,13H2
- InChIKey
- QKBTTXJHJNXCOQ-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2C2=CC=CC(N)=C12
- CAS DataBase Reference
- 50548 · 50548-43-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- hs_code
- 2932.99.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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