Basic information
- CAS
50889-29-7- Standard SMILES
O=C(O)CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
JUWYRPZTZSWLCY-UHFFFAOYSA-N- Molecular formula
- C24H26BrO2P
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 456.0853788
Names & identifiers
- Preferred name
- (5-Carboxypentyl)triphenylphosphanium bromide
- IUPAC
- 5-carboxypentyl(triphenyl)phosphanium bromide
- English name
- (5-Carboxypentyl)(triphenyl)phosphonium bromide
- Molecular formula
- C24H26BrO2P
- Molecular weight
- 457.34
Names & synonyms
(5-carboxypentyl)triphenylphosphanium bromideRefChem:403892610-581-8(5-Carboxypentyl)triphenylphosphonium bromide50889-29-7(5-carboxypentyl)(triphenyl)phosphonium bromide5-carboxypentyl(triphenyl)phosphanium;bromideAC-135485-Carboxypentyltriphenylphosphonium Bromide5-carboxypentyl-triphenylphosphonium bromide5-Carboxypentyl triphenylphosphonium bromide(5-carboxy-pentyl)triphenylphosphonium bromide
Show more names
(5-CarboxypentyL（5-Carboxybutyl）(triphenyl)phosphonium bromide(5-Carboxypentyl)triphenylphosphoniumbromide,97%5-carboxypentyltriphenylphosphonium bromide, 98 %(5-Carboxypentyl)(triphenyl)phosphonium bromide 97%(5-carboxypentyl)triphenyl-Phosphonium bromide (1:1)(6-Hydroxy-6-oxo-hexyl)-triphenyl-phosphonium bromidePhosphonium, (5-carboxypentyl)triphenyl-, bromide (1:1)
(5-carboxypentyl)-triphenylphosphonium bromide(5-Carboxypentyl) triphenyl phosphonium bromidePhosphonium, (5-carboxypentyl)triphenyl-, bromide(5-Carboxyamyl)triphenylphosphonium Bromide(5-Carboxypentyl)triphenylphosphoniumBromideSCHEMBL711677CHEMBL4286465DTXSID80381364
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 197 · 197-201 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in Chloroform and Methanol.
- form
- Solid
- color
- White to Off-White
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C24H25O2P.BrH/c25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18H,4,11-12,19-20H2;1H
- InChIKey
- JUWYRPZTZSWLCY-UHFFFAOYSA-N
- SMILES
- [P+](CCCCCC(=O)O)(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]
- CAS DataBase Reference
- 50889 · 50889-29-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)
Safety data
- wgk
- 3
- hs_code
- 2931599090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-22
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is used in medicine and as pharmaceutical intermediate. It is also employed as catalyst.
Uses(5-Carboxypentyl)(triphenyl)phosphonium bromide is used in medicine and as pharmaceutical intermediate. It is also employed as catalyst. Reactant for: Preparation of inhibitor of protein tyrosine phosphatase 1B for treatment of diabetes and obesity. Synthesis of folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity. Preparation of peptide nucleic acids (PNA) with high specific activity. Synthesis of roseophilin via Wittig/aldol methodology.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
57 records
Compound notes
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