2,6-Diiodo-4-nitrophenol

2,6-Diiodo-4-nitrophenol Basic information

Product Name:	2,6-Diiodo-4-nitrophenol
Synonyms:	2,6-diiodo-4-nitro-pheno;2,6-Diiodo-4-nitrophenol,99%;2,6-diiodo-4-nitrophenolate;2,6-DIIODO-4-NITROPHENOL;4-nitro-2,6-diiodophenol;Ancylol;Diisophenol;Disofen
CAS:	305-85-1
MF:	C6H3I2NO3
MW:	390.9
EINECS:	206-170-4
Product Categories:	Iodine Compounds;Nitro Compounds;Phenol&Thiophenol&Mercaptan;Phenols;Organic Building Blocks;Oxygen Compounds;API intermediates
Mol File:	305-85-1.mol

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)
pka	3.85±0.44(Predicted)
form	Solid
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 Information

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

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

Chemical Properties	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.

2,6-Diiodo-4-nitrophenol Preparation Products And Raw materials

Raw materials	2-hydroxy-5-nitrobenzenesulphonic acid-->Phenol, 2,4-diiodo-6-nitro--->2-IODO-4-NITROPHENOL-->2,4,6-Triiodophenol-->2-Iodo-6-nitro-phenol-->2,6-diiodophenol(WX191341)-->Phenol-->5-Nitrosalicylic acid-->Sodium benzenolate-->4-Nitrophenol-->Ammonia
Preparation Products	1,4-DINITROBENZENE

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

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