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Home Chemistry & Biochemicals Ligand Chiral Ligands (11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide - >97.0%(HPLC), high purity , CAS No.1197922-04-5
(11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide - >97.0%(HPLC), high purity , CAS No.1197922-04-5
Basic Description Synonyms D89041 | UVHZWWMJSAGSJH-UHFFFAOYSA-M | CS-0085171 | Spiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium], 2,6-bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydro-, bromide (1:1), (11bS)- | [16'-[bis[3,5-bis(trifluoromethyl)phenyl]-hydr Specifications & Purity ≥97%(HPLC)
Names and Identifiers IUPAC Name [16'-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]spiro[1,4-oxazinan-4-ium-4,13'-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-10'-yl]-bis[3,5-bis(trifluoromethyl)phenyl]methanol;bromide INCHI InChI=1S/C60H36F24NO3.BrH/c61-53(62,63)35-15-31(16-36(23-35)54(64,65)66)51(86,32-17-37(55(67,68)69)24-38(18-32)56(70,71)72)47-13-29-5-1-3-7-43(29)49-45(47)27-85(9-11-88-12-10-85)28-46-48(14-30-6-2-4-8-44(30)50(46)49)52(87,33-19-39(57(73,74)75)25-40(20-33)58(76,77)78)34-21-41(59(79,80)81)26-42(22-34)60(82,83)84;/h1-8,13-26,86-87H,9-12,27-28H2;1H/q+1;/p-1 InChi Key UVHZWWMJSAGSJH-UHFFFAOYSA-M Canonical SMILES C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-] Isomeric SMILES C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-] PubChem CID 44597114 Molecular Weight 1354.82 Reaxy-Rn 20072701
Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 1354.800 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 28 Rotatable Bond Count 6 Exact Mass 1353.15 Da Monoisotopic Mass 1353.15 Da Topological Polar Surface Area 49.700 Ų Heavy Atom Count 89 Formal Charge 0 Complexity 2030.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
Precautionary Statements P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P264: Wash hands [and …] thoroughly after handling.
P362+P364: Take off contaminated clothing and wash it before reuse.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P337+P317: If eye irritation persists: Get medical help.
P332+P317: If skin irritation occurs: Get medical help.
Reaxy-Rn 20072701
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