Heptyltriphenylphosphonium Bromide - CAS 13423-48-8

Catalog:	BB007901
Product Name:	Heptyltriphenylphosphonium Bromide
CAS:	13423-48-8
Synonyms:	heptyl(triphenyl)phosphonium;bromide; heptyl(triphenyl)phosphanium;bromide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	heptyl(triphenyl)phosphanium;bromide
Description:	Heptyltriphenylphosphonium Bromide (CAS# 13423-48-8) is a useful research chemical.
Molecular Weight:	441.38
Molecular Formula:	C25H30BrP
Canonical SMILES:	CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI:	InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
InChI Key:	WCZSOHSGMBVYFW-UHFFFAOYSA-M
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00050249
LogP:	2.95490

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Related Functional Groups

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[84962-98-1]
3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[60902-45-6]
n-Nonyl triphenylphosphonium bromide
[757-54-0]
Allylphosphonic acid dimethyl ester
[26342-16-5]
ethyl 3-(diethoxyphosphoryl)benzoate

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

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	440.12685
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	440.12685
Rotatable Bond Count:	9
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0