3-Iodophthalic Acid - CAS 6937-34-4

Catalog:	BB033795
Product Name:	3-Iodophthalic Acid
CAS:	6937-34-4
Synonyms:	3-iodophthalic acid; 3-iodophthalic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-iodophthalic acid
Description:	The study of the interaction of uranyl ion with 3-Iodophthalic Acid by Calvin-Bjerrum titration technique.
Molecular Weight:	292.03
Molecular Formula:	C8H5IO4
Canonical SMILES:	C1=CC(=C(C(=C1)I)C(=O)O)C(=O)O
InChI:	InChI=1S/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:	HNPVERUJGFNNRV-UHFFFAOYSA-N
Boiling Point:	426.3 °C at 760 mmHg
Density:	2.138 g/cm³
MDL:	MFCD00275568
LogP:	1.68760

Publication Number	Title	Priority Date
EP-3712128-A1	Photochemical intermolecular amination method	20190318
US-10144745-B2	Chimeric compounds targeting proteins, compositions, methods, and uses thereof	20160518
US-10562917-B2	Chimeric compounds targeting proteins, compositions, methods, and uses thereof	20160518
US-2017333443-A1	Chimeric compounds targeting proteins, compositions, methods, and uses thereof	20160518
US-2017334932-A1	Chimeric compounds targeting proteins, compositions, methods, and uses thereof	20160518

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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:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.92326
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	291.92326
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6