3-Iodophthalic anhydride

HCID 282071

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 28418-88-4
Standard SMILES: O=C1OC(=O)c2c(I)cccc21
InChIKey: SKHCDRLTAOLKHQ-UHFFFAOYSA-N
Molecular formula: C8H3IO3
Average molar mass: 274.01 g/mol
Monoisotopic mass: 273.91269196

Names & identifiers

Preferred name: 3-Iodophthalic anhydride
IUPAC: 4-iodo-2-benzofuran-1,3-dione
English name: 3-Iodophthalic anhydride
Molecular formula: C8H3IO3
Molecular weight: 274.01

Names & synonyms

28418-88-43-Iodophthalic anhydrideDTXSID70300160RefChem:1068059DTXCID802512954-iodoisobenzofuran-1,3-dione4-iodo-2-benzofuran-1,3-dioneMFCD08458692C8H3IO33-iodophthalic acid anhydrideSCHEMBL5513813-iodo-phthalic acid anhydride

Show more names

4-iodo-1,3-Isobenzofurandione1,3-Isobenzofurandione,4-iodo-CAS28418-88-4 3-IODOPHTHALIC ANHYDRIDE4-Iodoisobenzofuran-1,3-dione 28418-88-4China biggest manufacturer 4-iodo-2-benzofuran-1,3-dione

4-iodo-1,3-dihydro-2-benzofuran-1,3-dione4-Iodo-isobenzofuran-1,3-dioneGEO-01603CS-0129466NSC1351503-Iodoiodoisobenzofuran-1,3-dioneA854523

Database identifiers

CAS: 28418-88-4
PubChem CID: 282071
DTXSID: DTXSID70300160
EC Number: 880-666-4
Nikkaji: J2.242.519F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 238

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 159 · 159-161 °C
Boiling point: 377.9 · 377.9±25.0 °C(Predicted)
Density: 2.198 · 2.198±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Appearance: White to off-white Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405