CAS 341-02-6 Triphenylcarbenium tetrafluoroborate (HCID 2723955)

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Basic information

CAS: 341-02-6
Standard SMILES: F[B-](F)(F)F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIKey: VQXBOEYKSVVPSP-UHFFFAOYSA-N
Molecular formula: C19H15BF4
Average molar mass: 330.1 g/mol
Monoisotopic mass: 330.12029376

Names & identifiers

Preferred name: Triphenylcarbenium tetrafluoroborate
IUPAC: diphenylmethylbenzene tetrafluoroborate
English name: Triphenylcarbenium tetrafluoroborate
Molecular formula: C19H15BF4
Molecular weight: 330.13

Names & synonyms

Triphenylcarbenium tetrafluoroborate341-02-6Triphenylmethylium tetrafluoroborateTritylium tetrafluoroborateTrityl tetrafluoroborateTrityl fluoroborateMFCD00013120Triphenylmethyl fluoroboratediphenylmethylbenzene;tetrafluoroborateMethylium, triphenyl-, tetrafluoroborate(1-)NSC 176021Methylium, triphenyl-, tetrafluoroborate(1-) (1:1)

Show more names

SKL189TRIPHENYLMETHYL TETRAFLUOROBORATEMethylium, triphenyl-, tetrafluTriphenylcarbeniumtetrafluoroborate,98%triphenyl-methyliutetrafluoroborate(1-)

AKOS024318882LS-14699diphenylmethylbenzene,tetrafluoroborateSCHEMBL420170SCHEMBL3292756C19H15BF4DTXSID10883366Triphenylcarbeniumtetrafluoroborate

Database identifiers

CAS: 341-02-6
PubChem CID: 2723955
DTXSID: DTXSID10883366

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 215

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Boron)

Physical DescriptionYellow odorless powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 205 · 205-215 °C (dec.)(lit.)
storage temp.: 2 · 2-8°C
form: Crystalline Powder, Crystals and/or Chunks
color: Ochre-yellow to brown to dark green
Water Solubility: Insoluble in water. Soluble in methanol.
Sensitive: Moisture Sensitive
BRN: 5085649 · 5085649
Stability: Hygroscopic, Light-sensitive
InChI: InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
InChIKey: VQXBOEYKSVVPSP-UHFFFAOYSA-N
SMILES: [C+](C1=CC=CC=C1)(C1C=CC=CC=1)C1=CC=CC=C1.[B-](F)(F)(F)F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationTritylium tetrafluoroborate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; [Alfa Aesar MSDS] See Benzenediazonium tetrafluoroborate. See Triphenylcarbenium tetrafluoroborate.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 8-10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29319090
risk_code: 14-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethylium, triphenyl-, tetrafluoroborate(1-) (1:1): ACTIVE

Applications · 2 items

UsesTriphenylmethylium Tetrafluoroborate is reagent used in organic synthesis such as the direct synthesis of 1,1-diphenyl-3-arylindanes.

UsesReactant involved in:Synthesis of substituted dihydroazulene photoswitchesCarbene-based Lewis pairs for hydrogen activation1,3-Dipolar cycloaddition reactions for preparation of αamino-β-hydroxy estersOxidation of allenic compoundsMukaiyama aldol addition reactions Ionic hydrogenation as a counteranion and ligand source

Preparation methods · 1 item

PreparationPreparative Methods of Triphenylcarbenium Tetrafluoroborate: the most convenient procedure involves the reaction of Ph3CCl with Silver(I) Tetrafluoroborate in ethanol. The most economical route employs the reaction of Ph3CCl with the anhydrous Tetrafluoroboric Acid-Et2O complex.