Tri-tert-butylphosphonium Tetraphenylborate

HCID 23136663CAS 131322-08-2

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Basic information

Standard SMILES: CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: QWISVPBFGJWCBS-UHFFFAOYSA-O
Molecular formula: C36H48BP
Average molar mass: 522.6 g/mol
Monoisotopic mass: 522.35866857

Names & identifiers

Preferred name: Tri-tert-butylphosphonium Tetraphenylborate
IUPAC: tetraphenylboranuide;tritert-butylphosphanium

Names & synonyms

Tri-tert-butylphosphonium TetraphenylborateBorate(1-), tetraphenyl-, hydrogen, compd. with tris(1,1-dimethylethyl)phosphine (1:1:1)RefChem:899008603-474-2131322-08-2Tri-tert-butylphosphoniumTetraphenylborateMFCD08276434tetraphenylboranuide;tritert-butylphosphaniumtri-t-butylphosphonium tetraphenylborateSCHEMBL701137C36H48BPDTXSID60630928

Show more names

AKOS015911602SY105231DB-009911tetraphenylboranuide;tritert-butylphosphoniumTri-tert-butyl phosphonium tetraphenyl borateTri-tert-butylphosphanium tetraphenylborate(1-)

Database identifiers

CAS: 131322-08-2
PubChem CID: 23136663
DTXSID: DTXSID60630928
EC Number: 603-474-2

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 38
Formal charge: 0
Complexity: 429

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.