4-iodophenylacetic acid - CAS 1798-06-7

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

Catalog:	BB013600
Product Name:	4-iodophenylacetic acid
CAS:	1798-06-7
Synonyms:	2-(4-iodophenyl)acetic acid; 2-(4-iodophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-iodophenyl)acetic acid
Description:	4-iodophenylacetic acid (CAS# 1798-06-7) is a useful research chemical.
Molecular Weight:	262.04
Molecular Formula:	C8H7IO2
Canonical SMILES:	C1=CC(=CC=C1CC(=O)O)I
InChI:	InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:	FJSHTWVDFAUNCO-UHFFFAOYSA-N
Boiling Point:	323.7 °C at 760 mmHg
Melting Point:	134-136 °C
Purity:	95 %
Density:	1.885 g/cm³
Appearance:	Plates
MDL:	MFCD00082985
LogP:	1.91830

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic 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
22280118	20121001	Biodistribution and pharmacokinetics of I-131 labelled 4-iodophenylacetic acid	Current radiopharmaceuticals
22264753	20120215	Quinol derivatives as potential trypanocidal agents	Bioorganic & medicinal chemistry
19430616	20090501	Beneficial Effect of Food Substitute Containing L-Arginine, omega-3 Poly Unsaturated Fatty Acid, and Ribonucleic Acid in Preventing or Improving Metabolic Syndrome: A Study in 15 Overweight Patients and a Study of Fatty Acid Metabolism in Animals	Journal of clinical biochemistry and nutrition

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.94908
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.94908
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6