4-Hydroxy-3,5-diiodobenzaldehyde

HCID 74760CAS 1948-40-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(I)c(O)c(I)c1
InChIKey: WHLUEIMENHLCMY-UHFFFAOYSA-N
Molecular formula: C7H4I2O2
Average molar mass: 373.91 g/mol
Monoisotopic mass: 373.83007537

Names & identifiers

Preferred name: 4-Hydroxy-3,5-diiodobenzaldehyde
IUPAC: 4-hydroxy-3,5-diiodobenzaldehyde
English name: 3,5-Diiodo-4-hydroxybenzaldehyde
Molecular formula: C7H4I2O2
Molecular weight: 373.91

Names & synonyms

4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9Benzaldehyde, 4-hydroxy-3,5-diiodo-EINECS 217-754-3NSC 72943DTXSID20173129RefChem:523779DTXCID5095620217-754-33,5-Diiodo-4-hydroxybenzaldehydeMFCD000146703,5-Diiodo4-hydroxybenzaldehyde

Show more names

AKOS B0287446-FluoroacetophenoneAmiodarone Impurity 462,6-Diiodo-4-formylphenol4-Hydroxy-3,5-diiodbenzaldehydLevothyroxine Sodium Impurity f3,5-Diiodo-4-Hydroxybenzaldhyde3,5-Diiodo-4-Hydroxybenzadehyde

4-hydroxy-3,5-diiodo-benzaldehyde4-Hydroxy-3,5-diiodobenzaldehyde #BBL023135NSC-72943STK015966AKOS000313088SY022938EN300-345099

Database identifiers

CAS: 1948-40-9
PubChem CID: 74760
DTXSID: DTXSID20173129
UNII: UGE46KPQ52
EC Number: 217-754-3
Nikkaji: J199.767J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 202 · 202-203°C
Boiling point: 284.1 · 284.1±40.0 °C(Predicted)
Density: 2.602 · 2.602±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
solubility: Chloroform (Slightly, Sonicated), DMSO (Slightly)
form: Solid
pka: 4.89 · 4.89±0.23(Predicted)
color: White to Pale Yellow
Water Solubility: Insoluble in water. Sparingly soluble in chloroform and methanol.
Sensitive: Air & Light Sensitive
BRN: 1283414 · 1283414
InChI: InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: WHLUEIMENHLCMY-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(I)=C(O)C(I)=C1
CAS DataBase Reference: 1948 · 1948-40-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 2913000090 · 2913000090

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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.