(3-Carboxypropyl)triphenylphosphonium Bromide - CAS 17857-14-6

Name: (3-Carboxypropyl)triphenylphosphonium Bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013490
Product Name:	(3-Carboxypropyl)triphenylphosphonium Bromide
CAS:	17857-14-6
Synonyms:	(4-Hydroxy-4-oxobutyl)triphenylphosphonium Bromide; Phosphonium, (3-carboxypropyl)triphenyl-, bromide (1:1)

Technical Data

Related CAS:	151310-36-0 (free base)
IUPAC Name:	3-carboxypropyl(triphenyl)phosphanium;bromide
Description:	(3-Carboxypropyl)triphenylphosphonium Bromide is a reagent used for the preparation of sphingosine 1-phosphate-1 receptor antagonists, as well as for the synthesis of mitochondrial vitamin E metabolites and other mitochondrial targets in the study of mitochodrial functions.
Molecular Weight:	429.29
Molecular Formula:	C22H22BrO2P
Canonical SMILES:	C1=CC=C(C=C1)[P+](CCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI:	InChI=1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChI Key:	NKVJKVMGJABKHV-UHFFFAOYSA-N
Melting Point:	244-247°C
Purity:	≥95%
Solubility:	Soluble in Ethanol, Water
Appearance:	White Solid
Storage:	Store at RT
MDL:	MFCD00274196
LogP:	0.84930

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	359
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	428.05408
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	428.05408
Rotatable Bond Count:	7
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0