4-Aminononafluorobiphenyl
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Basic information
- CAS
969-25-5- Standard SMILES
Nc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F- InChIKey
DVKUPHGYOMHVDR-UHFFFAOYSA-N- Molecular formula
- C12H2F9N
- Average molar mass
- 331.14 g/mol
- Monoisotopic mass
- 331.00435253
Names & identifiers
- Preferred name
- 4-Aminononafluorobiphenyl
- IUPAC
- 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)aniline
- English name
- 4-AMINONONAFLUOROBIPHENYL
- Molecular formula
- C12H2F9N
- Molecular weight
- 331.14
Names & synonyms
4-Aminononafluorobiphenyl969-25-5DTXSID90348105RefChem:290128DTXCID80299177670-971-94-Aminoperfluorobiphenyl2,2',3,3',4',5,5',6,6'-Nonafluoro-[1,1'-biphenyl]-4-amine2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)anilineMFCD00671483SCHEMBL3945315AKOS007930790
Show more names
4-aminonafluorobiphenyl4-AMINONOAFLUOROBIPHENYL4-Aminononafluorobiphenyl96%Perfluoro-4-aminobiphenyl96%4-Aminononafluorobiphenyl >Perfluoro-4-aminobiphenyl 96%4-Aminononafluorobiphenyl 96%
T715042,2',3,3',4',5,5',6,6'-nonafluorobiphenyl-4-amineC12H2F9NPerfluoro-4-aminobiphenylFT-06175912,2',3,3'4',5,5',6,6'-Nonafluoro-4-biphenylamineSB83445DB-057653
Database identifiers
- CAS
969-25-5- PubChem CID
- 630342
- DTXSID
DTXSID90348105- EC Number
- 670-971-9
- Nikkaji
- J1.388.199E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 242.9 · 242.9±35.0 °C(Predicted)
- Density
- 1.699 · 1.699±0.06 g/cm3(Predicted)
- solubility
- soluble in Toluene
- form
- powder to crystal
- pka
- -0.69 · -0.69±0.21(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2
- InChIKey
- DVKUPHGYOMHVDR-UHFFFAOYSA-N
- SMILES
- C1(C2=C(F)C(F)=C(F)C(F)=C2F)=C(F)C(F)=C(N)C(F)=C1F
- CAS DataBase Reference
- 969 · 969-25-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-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
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 2 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
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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