3-Iodophthalic anhydride - CAS 28418-88-4

Catalog:	BB046758
Product Name:	3-Iodophthalic anhydride
CAS:	28418-88-4
Synonyms:	4-iodoisobenzofuran-1,3-dione; 4-iodo-1,3-Isobenzofurandione

Technical Data

Computed Properties

IUPAC Name:	4-iodo-2-benzofuran-1,3-dione
Description:	3-Iodophthalic anhydride (CAS# 28418-88-4 ) is a useful research chemical.
Molecular Weight:	274.01
Molecular Formula:	C8H3IO3
Canonical SMILES:	C1=CC2=C(C(=C1)I)C(=O)OC2=O
InChI:	InChI=1S/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChI Key:	SKHCDRLTAOLKHQ-UHFFFAOYSA-N
Boiling Point:	377.9±25.0 °C (Predicted)
Melting Point:	159-161 °C
Purity:	≥ 97 %
Density:	2.198±0.06 g/cm³ (Predicted)

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Related Functional Groups

Benzofuran/Benzothiophene

[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[34761-09-6]
Ethyl 3-aminobenzo[b]thiophene-2-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[1427556-50-0]
N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
N-(9,9-diphenyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine

Carbonyl Compounds

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[4860-03-1]
1-Chlorohexadecane

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.91269
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.91269
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9