4-Iodophenoxyacetic acid - CAS 1878-94-0

Name: 4-Iodophenoxyacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014466
Product Name:	4-Iodophenoxyacetic acid
CAS:	1878-94-0
Synonyms:	2-(4-iodophenoxy)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-iodophenoxy)acetic acid
Description:	4-Iodophenoxyacetic acid (CAS# 1878-94-0) is a useful research chemical.
Molecular Weight:	278.04
Molecular Formula:	C8H7IO3
Canonical SMILES:	C1=CC(=CC=C1OCC(=O)O)I
InChI:	InChI=1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:	RKORKXFKXYYHAQ-UHFFFAOYSA-N
Boiling Point:	358.5 °C at 760 mmHg
Melting Point:	101-105 °C
Purity:	95 %
Density:	1.896 g/cm³
Appearance:	White to light yellow powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00014359
LogP:	1.75460

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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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PMID	Publication Date	Title	Journal
19483353	20090601	Efficient synthesis of p-quinols using catalytic hypervalent iodine oxidation of 4-arylphenols with 4-iodophenoxyacetic acid and oxone	Chemical & pharmaceutical bulletin
19252315	20090301	Catalytic hypervalent iodine oxidation using 4-iodophenoxyacetic acid and oxone: oxidation of p-alkoxyphenols to p-benzoquinones	Chemical & pharmaceutical bulletin
18981622	20081101	Catalytic hypervalent iodine oxidation of p-dialkoxybenzenes to p-quinones using 4-iodophenoxyacetic acid and Oxone	Chemical & pharmaceutical bulletin

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.94399
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.94399
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7