Iophenoxic acid

Modify Date: 2026-07-01 17:03:13

Iophenoxic acid Structure
Iophenoxic acid structure
 Common Name Iophenoxic acid
CAS Number 96-84-4 Molecular Weight 571.91700
Density 2.471g/cm3 Boiling Point 459ºC at 760mmHg
Molecular Formula C11H11I3O3 Melting Point 146-148ºC(lit.)
MSDS Chinese USA Flash Point 231.4ºC
Symbol GHS07
GHS07		 Signal Word Warning

 Use of Iophenoxic acid


Iophenoxic acid is a systemic blood marker for assessment of bait acceptance by stoats (Mustela erminea) and weasels (Mustela nivalis)[1].

 Names

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

Name 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
Synonym More Synonyms

 Iophenoxic acid Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Iophenoxic acid is a systemic blood marker for assessment of bait acceptance by stoats (Mustela erminea) and weasels (Mustela nivalis)[1].
Related Catalog
References

[1]. E. B. Spurr. Iophenoxic acid as a systemic blood marker for

 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 2.471g/cm3
Boiling Point 459ºC at 760mmHg
Melting Point 146-148ºC(lit.)
Molecular Formula C11H11I3O3
Molecular Weight 571.91700
Flash Point 231.4ºC
Exact Mass 571.78400
PSA 57.53000
LogP 3.85930
Index of Refraction 1.724
InChIKey GOIQOQCNFWYSTQ-UHFFFAOYSA-N
SMILES CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O

 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 :
MW5280000
CHEMICAL NAME :
Hydrocinnamic acid, alpha-ethyl-3-hydroxy-2,4,6-triiodo-
CAS REGISTRY NUMBER :
96-84-4
BEILSTEIN REFERENCE NO. :
2868146
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C11-H11-I3-O3
MOLECULAR WEIGHT :
571.92
WISWESSER LINE NOTATION :
QVY2&1R CQ BI DI FI

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 :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 12,315,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
648 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1850 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
440 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
374 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,997,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
203 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 gm/kg/5W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953

 Safety Information

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

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases 22-36/37/38
Safety Phrases S36
RIDADR NONH for all modes of transport
RTECS MW5280000
HS Code 2918199090

 Customs

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

HS Code 2918199090
Summary 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Articles15

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Selective analysis of human serum albumin based on SEC-ICP-MS after labelling with iophenoxic acid.

Anal. Bioanal. Chem 407(10) , 2829-36, (2015)

Human serum albumin (HSA) is the most abundant protein in the human plasma. HSA has several physiological roles in the human body, including storage and transport. Owing to the predominance of albumin...

Crystallographic analysis reveals the structural basis of the high-affinity binding of iophenoxic acid to human serum albumin.

BMC Struct. Biol. 11 , 18, (2011)

Iophenoxic acid is an iodinated radiocontrast agent that was withdrawn from clinical use because of its exceptionally long half-life in the body, which was due in part to its high-affinity binding to ...

Liquid chromatography-electrospray ionization mass spectrometry for direct identification and quantification of iophenoxic acid in serum.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 832(1) , 144-57, (2006)

A liquid chromatographic-electrospray ionization mass spectrometric technique was developed for direct quantitation of iophenoxic acid (IA) in serum. IA was spiked into canine, feline, bovine, equine,...

 Iophenoxic acidBioassay

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: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
Source: NCGC
External Id: CYP3A4437
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: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2D6395
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
Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) sign...
Source: 824
Target: N/A
External Id: MDAV150
Name: Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2C9536
Name: GLP1 secretion from NCI-H716 cells-screen
Source: 846
Target: N/A
External Id: hNCI-H716_GLP1_Secretion_SP
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 Synonyms

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

MFCD00133419
Acido iofenoico
Isophenoxic acid
Triiodoethionic acid
Iophenoxic acid
iophenoxate
Teridax

 Iophenoxic acid | FAQ

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

Q: What is the InChIKey of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: InChIKey of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is GOIQOQCNFWYSTQ-UHFFFAOYSA-N.
Q: What English synonyms does 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid have?
A: English synonyms of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid: MFCD00133419, Acido iofenoico, Isophenoxic acid, Triiodoethionic acid, Iophenoxic acid, iophenoxate, Teridax.
Q: What is the molecular formula of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Molecular formula of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is C11H11I3O3.
Q: What is the English name of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: The English name of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid.
Q: What is the boiling point of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Boiling point of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is 459ºC at 760mmHg.
Q: What is the molecular weight of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Molecular weight of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is 571.91700.
Q: What is the safety information for 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Safety information for 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid: S36.
Q: What are the uses of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Main uses of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid: Iophenoxic acid is a systemic blood marker for assessment of bait acceptance by stoats (Mustela erminea) and weasels (Mustela nivalis)[1].
Q: What is the polar surface area (PSA) of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: Polar surface area (PSA) of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is 57.53000.
Q: What is the SMILES notation of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid?
A: SMILES notation of 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid is CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O.

 Iophenoxic acidfactory

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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Chemsrc provides Iophenoxic acid(CAS#:96-84-4) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Iophenoxic acid are included as well.>> amp version: Iophenoxic acid

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