2,6-Diiodo-4-nitrophenol Chemical Properties

Melting point:

152-154 °C(lit.)

Boiling point:

310.6±42.0 °C(Predicted)

Density 

2.5630 (estimate)

storage temp. 

2-8°C(protect from light)

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

Solid

pka

3.85±0.44(Predicted)

color 

Pale Yellow

Water Solubility 

very sparingly soluble

Sensitive 

Light Sensitive

Merck 

14,3359

BRN 

2052233

Stability:

Stable.

InChI

InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

InChIKey

UVGTXNPVQOQFQW-UHFFFAOYSA-N

SMILES

C1(O)=C(I)C=C([N+]([O-])=O)C=C1I

CAS DataBase Reference

305-85-1(CAS DataBase Reference)

NIST Chemistry Reference

2,6-Diiodo-4-nitrophenol(305-85-1)

EPA Substance Registry System

2,6-Diiodo-4-nitrophenol (305-85-1)

Safety Information

Hazard Codes 

Xn,T

Risk Statements 

20/21/22-36/37/38-25

Safety Statements 

26-28-36/37/39-45-28A

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

RTECS 

SL0750000

HazardClass 

6.1

PackingGroup 

III

Toxicity

LD50 in rats, mice (mg/kg): 170, 212 orally; 105, 88 i.v.; 105, 107 i.p.; 122, 110 s.c. (Kaiser)

MSDS

• Language:English Provider:2,6-Diiodo-4-nitrophenol
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2,6-Diiodo-4-nitrophenol Usage And Synthesis

Chemical Properties

light yellow feathery crystals or yellow crystalline solid

Uses

2,6-Diiodo-4-nitrophenol is useful for statistical methods for developing QSARs to predict toxicity of phenols to Tetrahymena pyriformis.

Definition

ChEBI: Disophenol is a member of 4-nitrophenols.

General Description

Light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid Used against hookworm.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

2,6-Diiodo-4-nitrophenol is a halogenated and nitrated phenol. Reacts as a weak acid. Incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. May generate heat with bases.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition 2,6-Diiodo-4-nitrophenol emits very toxic fumes.

Fire Hazard

Flash point data for 2,6-Diiodo-4-nitrophenol are not available. 2,6-Diiodo-4-nitrophenol is probably combustible.

Safety Profile

Poison by ingestion, intraperitoneal, subcutaneous, intravenous, and parented routes. An anthelmintic. When heated to decomposition it emits very toxic fumes of Iand NO,. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.

Toxicology

2,6-Diiodo-4-nitrophenol is toxic, with signs of toxicity in experimental animals (rodents and hounds) manifesting as increased respiration, heart rate and body temperature, as well as very rapid rigours. The increased toxicity after repeated administration is related to the accumulation of 2,6-Diiodo-4-nitrophenol in the plasma^[1].

References

[1] KAISER J A. Studies on the toxicity of disophenol (2,6-diiodo-4-nitrophenol) to dogs and rodents plus some comparisons with 2,4-dinitrophenol[J]. Toxicology and applied pharmacology, 1964. DOI:10.1016/0041-008X(64)90108-5.

2,6-Diiodo-4-nitrophenol(305-85-1)Related Product Information

• 2,6-Dimethylphenol
• 2,5-DINITROPHENOL
• Nitrophenol
• 2,6-DINITROPHENOL
• PICRIC ACID
• 1,3-Dinitrobenzene
• 2-Nitrophenol
• 4-Nitrosophenol
• 1-Iodo-3-nitrobenzene
• 1,3-DIIODOBENZENE
• 4-Nitrophenol
• 3-Nitrophenol
• 3-Iodoaniline
• 1,3-Diiodo-2-methoxy-5-nitrobenzene
• 2-IODO-4-NITROPHENOL
• 3-IODO-4-HYDROXYANILINE
• 3,5-DIIODOANILINE
• 2,6-Diiodo-4-nitrophenol