(5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE - CAS 872143-57-2
Catalog: |
BB043308 |
Product Name: |
(5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE |
CAS: |
872143-57-2 |
Synonyms: |
2-PENTAFLUOROPHENYL-6,10B-DIHYDRO-4H,5AH-5-OXO-3,10C-DIAZA-2-AZONIACYCLOPENTA[C]FLUORINE TETRAFLUOROBORATE; 5A(R),10B(S)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE; (5AR,10BS)-(+)-5A,10B-D |
IUPAC Name: | (1S,9R)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate |
Description: | (5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE (CAS# 872143-57-2 ) is a useful research chemical. |
Molecular Weight: | 467.10 |
Molecular Formula: | C18H11BF9N3O |
Canonical SMILES: | [B-](F)(F)(F)F.C1C2C(C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F |
InChI: | InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m1./s1 |
InChI Key: | CPCMDOOTVHDRTM-CVJFODCESA-N |
Melting Point: | 233-237 °C |
Purity: | 97 % |
Storage: | Inert atmosphere. Keep cold. |
MDL: | MFCD08457666 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P280 - P305+P351+P338 - P310 |
Signal Word: | Danger |
Complexity: | 576 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 467.0851456 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 467.0851456 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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