2-Iodofuran-3-carboxylic acid

HCID 68563082CAS 152941-57-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccoc1I
InChIKey: JNHIXEHYXXAQJP-UHFFFAOYSA-N
Molecular formula: C5H3IO3
Average molar mass: 237.98 g/mol

Names & identifiers

Preferred name: 2-Iodofuran-3-carboxylic acid
IUPAC: 2-iodofuran-3-carboxylic acid
English name: 2-iodofuran-3-carboxylic acid
Molecular formula: C5H3IO3
Molecular weight: 237.98

Names & synonyms

2-iodofuran-3-carboxylic acid152941-57-6RefChem:473783894-028-8MFCD279384642-iodofuran-3-carboxylicacidSCHEMBL3242048JNHIXEHYXXAQJP-UHFFFAOYSA-NCGA94157AKOS037645296AS-59946DA-28916

Show more names

3-Furancarboxylic acid, 2-iodo-2-IODOFURAN-3-CARBOXYLIC ACID(WXC07171)

SY523053CS-0047021EN300-170680W15727

Database identifiers

CAS: 152941-57-6
PubChem CID: 68563082
EC Number: 894-028-8

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 304.3 · 304.3±27.0 °C(Predicted)
Density: 2.227 · 2.227±0.06 g/cm3(Predicted)
pka: 3.67 · 3.67±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.