CAS 1530-32-1 Phosphonium, ethyltriphenyl-, bromide (1:1) (HCID 73727)

Names & identifiers

Preferred name: Phosphonium, ethyltriphenyl-, bromide (1:1)
IUPAC: ethyl(triphenyl)phosphanium bromide
English name: Ethyltriphenylphosphonium bromide
Molecular formula: C20H20BrP
Molecular weight: 371.25

Names & synonyms

Ethyltriphenylphosphonium bromide1530-32-1Triphenylethylphosphonium bromidePhosphonium, ethyltriphenyl-, bromideEthyltriphenylfosfonium bromidePhosphonium, ethyltriphenyl-, bromide (1:1)R85V84UL5Vethyl(triphenyl)phosphonium bromideEINECS 216-223-3NSC-60660TEP (ONIUM COMPOUND)DTXSID90883687

Show more names

TEPETPPBEthyl triphenyl phosphine bromideethyltriphenylphosphanium bromideAD182tbepbETPPBREthyl triphenyl phoAntioxidants Impurity 15

EC 216-223-3NSC 60660J237.373DRefChem:862303DTXCID501023191216-223-3Ethyl triphenyl phosphonium bromideEthyl triphenylphosphonium Bromide

Database identifiers

CAS: 1530-32-1
PubChem CID: 73727
DTXSID: DTXSID90883687
ChEMBL: CHEMBL353497
UNII: R85V84UL5V
EC Number: 216-223-3

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 247

Experimental & physicochemical properties

Physical DescriptionDry Powder

Physicochemical properties

Melting point: 203 · 203-205 °C(lit.)
Boiling point: 240 ℃[at · 240℃[at 101 325 Pa]
Density: 1.38 · 1.38[at 20℃]
vapor pressure: 0 · 0-0.1Pa at 20-25℃
Flash point: 200 °C · 200 °C
storage temp.: Inert atmosphere,Room Temperature
solubility: 174 g/l · 174g/l soluble
form: Crystalline Powder
color: White to off-white
Water Solubility: 120 g/L · 120 g/L (23 ºC)
Sensitive: Hygroscopic
BRN: 3599630 · 3599630
InChI: 1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChIKey: JHYNXXDQQHTCHJ-UHFFFAOYSA-M
SMILES: [Br-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: -0.69 · -0.69--0.446 at 35℃
CAS DataBase Reference: 1530 · 1530-32-1(CAS DataBase Reference)
FDA UNII: 85 V84UL5V · R85V84UL5V
EPA Substance Registry System: Phosphonium, ethyltriphenyl-, bromide (1530-32-1)
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318-H412
Precautionary statements: 264 · P264-P270-P273-P280-P301+P310-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,N,Xi
Risk Statements: 22 · 22-51/53-36/37/38-21/22
Safety Statements: 61 · 61-36/37/39-26-36
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29310095 · 29310095
Storage Class: 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1% (6 of 577) of reports.

Danger

H301 (46.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 577 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Phosphonium, ethyltriphenyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, ethyltriphenyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 22-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5487

Ethyltriphenylphosphonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (46.4%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 29310095
risk_code: 22-51/53-36/37/38-21/22
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn,N,Xi
safety_code: 61-36/37/39-26-36
hazard_class: 6.1
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
packing_group: III
Hazard statements: H301-H318-H412
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1
Precautionary statements: P264-P270-P273-P280-P301+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb

Industry UsesOther

General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

Phosphonium, ethyltriphenyl-, bromide (1:1): ACTIVE

Applications · 4 items

Usessuzuki reaction

UsesEthyltriphenylphosphonium Bromide is used as a wittig reagent. Ethyltriphenylphosphonium Bromide and other phosphonium salts show antiviral activity.

UsesEthyltriphenylphosphonium Bromide (ETPB) is a phase transfer catalyst, used to accelerate the cure of phenolic-based epoxy resins, certain fluoroelastomer resins and thermosetting powder coatings. It is also used as catalysts in the synthesis of certain organic compounds and as a pharmaceutical intermediate. Ethyltriphenylphosphonium bromide acts as a reactant in the synthesis of D-amino acids from L-cysteine-derived thiazolidines, Leiodolide A through aldol reactions and Horner-Wadsworth-Emmons olefination. It is also used in the preparation of cycloalkanoindolines through diastereoselective intramolecular inimo-ene reactions. it is used as a reagent in solid-state metathesis polycondensation to prepare alkyl-dipropenylthiophene monomers. Mizoroki-Heck cyclization and cascading Tsuji-Trost cyclization reactions.

UsesPTC catalyst