Vitas-M small molecule compound

phenyl[1,1',1''-phosphanetriyltris(2,2,2-trichloroethanolato-kappaO)(3-)]borate(1-)

Catalog ID
STK369159
SMILES ClC(C1O[B-]2(OC(P1C(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c1ccccc1)(Cl)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H8BCl9O3P MW 561.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8BCl9O3P/c14-10(15,16)7-23-13(6-4-2-1-3-5-6)24-8(11(17,18)19)26(7)9(25-13)12(20,21)22/h1-5,7-9H/q-1
InChIKey
CVDWNXLDXXFNSL-UHFFFAOYSA-N
Synonyms

(B)12(OC(P(C(O1)C(Cl)(Cl)Cl)C(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C3=CC=CC=C3
4PHENYL267TRIS(TRICHLOROMETHYL)358TRIOXA1PHOSPHA4BORANUIDABICYCLO(222)OCTANE
ClC(C1O(B)2(OC(P1C(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c1ccccc1)(Cl)Cl
InChI=1SC12H8BCl9O3Pc1410(1516)72313(6421356)248(11(1718)19)26(7)9(2513)12(2021)22h1579Hq1
MFCD00717511
phenyl(111phosphanetriyltris(222trichloroethanolatokappaO)(3))borate(1)
ZINC000195785997
ZINC000226863822

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.