T342173

RoNHC-H

• Synonym(s): (5aR,10bS)-2-(2,6-difluorophenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate
• Empirical Formula (Hill Notation): C₁₈H₁₄BF₆N₃O
• Molecular Weight: 413.12
• MDL number: MFCD28053578
• UNSPSC Code: 12352111
• PubChem Substance ID: 329826759

Properties

• form: solid
• Quality Level: 100
• SMILES string: FC1=CC=CC(F)=C1[N+]2=CN([C@@H](C(C=CC=C3)=C3C4)[C@@H]4OC5)C5=N2.F[B-](F)(F)F
• InChI: 1S/C18H14F2N3O.BF4/c19-13-6-3-7-14(20)18(13)23-10-22-16(21-23)9-24-15-8-11-4-1-2-5-12(11)17(15)22;2-1(3,4)5/h1-7,10,15,17H,8-9H2;/q+1;-1/t15-,17+;/m1./s1
• InChI key: YHHADKKGPWGSKB-KALLACGZSA-N

Description

Application

Organocatalyst for the asymmetric synthesis of alpha-fluoro, deuterio, and chloro carboxylic acids.

N-Heterocyclic Carbene Catalyzed Asymmetric Hydration: Direct Synthesis of α-Protio and α-Deuterio α-Chloro and α-Fluoro Carboxylic Acids

Other Notes

Please note that Sigma-Aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. Sigma-Aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H318
• Precautionary Statements: P280 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable