5-Iodobenzene-1,3-diol

HCID 616755

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 64339-43-1
Standard SMILES: Oc1cc(O)cc(I)c1
InChIKey: PZDUQDUNYLFCCD-UHFFFAOYSA-N
Molecular formula: C6H5IO2
Average molar mass: 236.01 g/mol
Monoisotopic mass: 235.9334274

Names & identifiers

Preferred name: 5-Iodobenzene-1,3-diol
IUPAC: 5-iodobenzene-1,3-diol
English name: 5-Iodoresorcinol
Molecular formula: C6H5IO2
Molecular weight: 236.01

Names & synonyms

5-IODORESORCINOL5-iodobenzene-1,3-diol64339-43-15-Iodo-1,3-benzenediol1,3-Benzenediol, 5-iodo-MFCD162514283,5-Dihydroxyiodobenzene3,5-Dihydroxyphenyl Iodidestarbld00195925-iodo-benzene-1,3-diolSCHEMBL693705-Iodo-1,3-benzenediol #

Show more names

5-IODORESORCINOL(WXC09210)1,3-Dihydroxy-5-iodobenzene

5-Iodo-1,3-dihydroxybenzeneDTXSID10346966AKOS030616808AS-56793DA-04068A12718F801887InChI=1/C6H5IO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9

Database identifiers

CAS: 64339-43-1
PubChem CID: 616755
DTXSID: DTXSID10346966
Nikkaji: J801.924J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Melting point: 92.5 °C · 92.5°C
Boiling point: 325.6 · 325.6±12.0 °C(Predicted)
Density: 1.9169 · 1.9169 (estimate)
solubility: Ethyl Acetate, Methanol
form: Solid
pka: 8.6 · 8.60±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338