CAS 6399-81-1 Phosphine, triphenyl-, hydrobromide (HCID 517696)

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Basic information

CAS: 6399-81-1
Standard SMILES: [Br-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIKey: CMSYDJVRTHCWFP-UHFFFAOYSA-N
Molecular formula: C18H16BrP
Average molar mass: 343.2 g/mol

Overview

See also: Triphenylphosphonium bromide (preferred).

Names & identifiers

Preferred name: Phosphine, triphenyl-, hydrobromide
IUPAC: triphenylphosphanium bromide
English name: Triphenylphosphine hydrobromide
Molecular formula: C18H16BrP
Molecular weight: 343.2

Names & synonyms

Phosphine, triphenyl-, hydrobromidetriphenylphosphine-hbrPPh3.HBr(triphenylphosphonium)bromideTriphenyl phosphonium bromidetriphenyl-phosphonium Bromidetri phenyl phosphonium bromidetriphenyl-phospho-nium bromidetriphenyl phosphine hydrobromideAKOS025311067TRIPHENYLPHOSPHONIUM BROMIDETPH

Show more names

Triphenylphosphane hydrobromidePPH3 HBrTRPHPh3P HBrphosphine hydrobromideTriphenylphosphoine HBrtryptophan 5-hydroxylase 1tryptophan 5-monooxygenase 1

Database identifiers

CAS: 6399-81-1
PubChem CID: 517696

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 202

Physicochemical properties

Melting point: 196 °C · 196 °C (dec.) (lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder or Chunks
color: White to light beige
biological source: rabbit
Water Solubility: Soluble in water.
BRN: 3633387 · 3633387
InChI: InChI=1S/C18H15P.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H
InChIKey: CMSYDJVRTHCWFP-UHFFFAOYSA-N
SMILES: P(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.Br
CAS DataBase Reference: 6399 · 6399-81-1(CAS DataBase Reference)
FDA UNII: 5 RI31WVDB · P5RI31WVDB
UNSPSC Code: 12352203 · 12352203
NACRES: 41 · NA.41
Symbol(GHS): 5 · GHS05,GHS07

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 3
hs_code: 29310095
risk_code: 22-34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302-H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

UsesTriphenylphosphine hydrobromide is used as mild source of anhydrous HBr; catalyst for formation of THP ethers from tertiary alcohols; preparation of phosphonium salts.

UsesTriphenylphosphine hydrobromide is the hydrobromide salt of Triphenylphosphine, used in the preparation of uridine derivatives as substrate donor analogs of UDP-sugars for glycosyltransferases. Also used in the preparation of tensioactive and antibacterial deoxyglycoside compounds via catalysis.