CAS 6399-81-1 Triphenylphosphonium bromide (HCID 80811)

Names & identifiers

Preferred name: Triphenylphosphonium bromide
IUPAC: triphenylphosphane;hydrobromide
English name: Triphenylphosphine hydrobromide
Molecular formula: C18H16BrP
Molecular weight: 343.2

Names & synonyms

Triphenylphosphine hydrobromide6399-81-1Triphenylphosphonium bromideDTXSID70213928RefChem:900017DTXCID00136419229-012-6triphenylphosphane;hydrobromidePhosphine, triphenyl-, hydrobromideMFCD00035107Triphenylphosphine hydrobromide, 97%triphenylphosphine bromine

Show more names

TPHPPH3 HBrTRPHPh3P HBrphosphine hydrobromideTriphenylphosphoine HBrtryptophan 5-hydroxylase 1tryptophan 5-monooxygenase 1

triphenylphosphane hydrobromideC18H16BrPTriphenylphosphine compd. with Hydrobromic Acid; Triphenylphosphonium bromideEINECS 229-012-6Ph3P.HBrPh3P . HBrTriphenylphosphinehydrobromideSCHEMBL71504

Database identifiers

CAS: 6399-81-1
PubChem CID: 80811
DTXSID: DTXSID70213928
EC Number: 229-012-6

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
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
Signal word: Danger
Hazard statements: 302 · H302-H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 22 · 22-34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 3261 · UN 3261 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29310095 · 29310095
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

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.