Octylphosphonic acid - CAS 4724-48-5

Name: Octylphosphonic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	octylphosphonic acid
Description:	Octylphosphonic acid (CAS# 4724-48-5) is a versatile organic building block, used for the preparation of various pharmaceutical compounds and chemical prosucts. It is also shown to have application as moonolayers of organophosphonic acids supported on calcium hydroxyapatite and human teeth, and thus become of particular interest for uses in the dental field.
Molecular Weight:	194.21
Molecular Formula:	C8H19O3P
Canonical SMILES:	CCCCCCCCP(=O)(O)O
InChI:	InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChI Key:	NJGCRMAPOWGWMW-UHFFFAOYSA-N
Boiling Point:	327.5 °C at 760 mmHg
Melting Point:	100-102 °C
Purity:	95 %
Density:	1.08 g/cm³
Appearance:	Powder or crystals
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD00015841
LogP:	2.52460

GHS Hazard Statement:	H302 (65.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P314, P321, P330, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22242677	20120214	In situ study of the deposition of (ultra)thin organic phosphonic acid layers on the oxide of aluminum	Langmuir : the ACS journal of surfaces and colloids
22023864	20111114	Assisted inhibition effect of acetylcholinesterase with n-octylphosphonic acid and application in high sensitive detection of organophosphorous pesticides by matrix-assisted laser desorption/ionization Fourier transform mass spectrometry	Analytica chimica acta
21951060	20111101	Tuning surface wettability of In(x)Ga(1-x)N nanotip arrays by phosphonic acid modification and photoillumination	Langmuir : the ACS journal of surfaces and colloids
19725527	20100119	Mixed self-assembled layers of phosphonic acids	Langmuir : the ACS journal of surfaces and colloids
19361929	20090701	Low adhesion, non-wetting phosphonate self-assembled monolayer films formed on copper oxide surfaces	Ultramicroscopy

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.10718146
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.10718146
Rotatable Bond Count:	7
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8