2,6-Diiodo-4-nitrophenol

Modify Date: 2026-07-11 10:58:28

2,6-Diiodo-4-nitrophenol Structure
2,6-Diiodo-4-nitrophenol structure
Common Name 2,6-Diiodo-4-nitrophenol
CAS Number 305-85-1 Molecular Weight 390.902
Density 2.7±0.1 g/cm3 Boiling Point 310.6±42.0 °C at 760 mmHg
Molecular Formula C6H3I2NO3 Melting Point 152-154 °C(lit.)
MSDS N/A Flash Point 141.6±27.9 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,6-Diiodo-4-nitrophenol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 2.7±0.1 g/cm3
Boiling Point 310.6±42.0 °C at 760 mmHg
Melting Point 152-154 °C(lit.)
Molecular Formula C6H3I2NO3
Molecular Weight 390.902
Flash Point 141.6±27.9 °C
Exact Mass 390.820221
PSA 66.05000
LogP 3.37
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.782
InChIKey UVGTXNPVQOQFQW-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc(I)c(O)c(I)c1
Stability Stable.
Water Solubility very sparingly soluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL0750000
CHEMICAL NAME :
Phenol, 2,6-diiodo-4-nitro-
CAS REGISTRY NUMBER :
305-85-1
BEILSTEIN REFERENCE NO. :
2052233
LAST UPDATED :
199803
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C6-H3-I2-N-O3
MOLECULAR WEIGHT :
390.90
WISWESSER LINE NOTATION :
WNR DQ CI EI

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
105 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
122 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
105 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
212 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
88 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,232,1964
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 17,108,1973

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes T:Toxic;Xn:Harmful;
Risk Phrases R20/21/22;R25;R36/37/38
Safety Phrases S26-S28-S36/37/39-S45-S28A
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS SL0750000
Packaging Group III
Hazard Class 6.1
HS Code 2908999090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2908999090
Summary 2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 2,6-Diiodo-4-nitrophenolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: insulin secretion from INS-1E cells in the presence of 5 mM glucose-screen
Source: 846
Target: N/A
External Id: 5mMGluc_INS1E_InsulinRelease_40mMGluc_SP
Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535
Name: VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area decrease-IC50
Source: 846
Target: N/A
External Id: VEGF_ADSC_ECFC_Angio_CD31_TubeArea_CRC
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: GSK3B-pretreated HCT116 viability from Cell TiterGlo-screen
Source: 846
Target: N/A
External Id: GSK3b_inh_pretreated_Viability_ATP_HCT116_SP
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,6-Diiodo-4-nitro-phenol
DNP
Phenol,2,6-diiodo-4-nitro
Diisophenol
MFCD00007335
DISOPHENOL
EINECS 206-170-4
Ancylol
Disofen
2,6-diodo-4-nitrophenol
2,6-diiod-4-nitrophenol
2,6-Diiodo-4-nitrophenol
2,5-DIHYDRO-1-(2-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID HYDRAZIDE
Iodofen
4-nitro-2,6-diidophenol
Syngamix

 2,6-Diiodo-4-nitrophenol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of 2,6-Diiodo-4-nitrophenol?
A: The English name of 2,6-Diiodo-4-nitrophenol is 2,6-Diiodo-4-nitrophenol.
Q: What is the molecular formula of 2,6-Diiodo-4-nitrophenol?
A: Molecular formula of 2,6-Diiodo-4-nitrophenol is C6H3I2NO3.
Q: What is the polar surface area (PSA) of 2,6-Diiodo-4-nitrophenol?
A: Polar surface area (PSA) of 2,6-Diiodo-4-nitrophenol is 66.05000.
Q: What is the safety information for 2,6-Diiodo-4-nitrophenol?
A: Safety information for 2,6-Diiodo-4-nitrophenol: S26-S28-S36/37/39-S45-S28A.
Q: What is the SMILES notation of 2,6-Diiodo-4-nitrophenol?
A: SMILES notation of 2,6-Diiodo-4-nitrophenol is O=[N+]([O-])c1cc(I)c(O)c(I)c1.
Q: What is the molecular weight of 2,6-Diiodo-4-nitrophenol?
A: Molecular weight of 2,6-Diiodo-4-nitrophenol is 390.902.
Q: What English synonyms does 2,6-Diiodo-4-nitrophenol have?
A: English synonyms of 2,6-Diiodo-4-nitrophenol: 2,6-Diiodo-4-nitro-phenol, DNP, Phenol,2,6-diiodo-4-nitro, Diisophenol, MFCD00007335, DISOPHENOL, EINECS 206-170-4, Ancylol, Disofen, 2,6-diodo-4-nitrophenol, 2,6-diiod-4-nitrophenol, 2,6-Diiodo-4-nitrophenol, 2,5-DIHYDRO-1-(2-NITROPHENYL)-5-OXO-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID HYDRAZIDE, Iodofen, 4-nitro-2,6-diidophenol, Syngamix.
Q: What is the InChIKey of 2,6-Diiodo-4-nitrophenol?
A: InChIKey of 2,6-Diiodo-4-nitrophenol is UVGTXNPVQOQFQW-UHFFFAOYSA-N.
Q: What is the melting point of 2,6-Diiodo-4-nitrophenol?
A: Melting point of 2,6-Diiodo-4-nitrophenol is 152-154 °C(lit.).
Q: What is the CAS number of 2,6-Diiodo-4-nitrophenol?
A: CAS number of 2,6-Diiodo-4-nitrophenol is 305-85-1.

 2,6-Diiodo-4-nitrophenolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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