Product Name

  • Name

    ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID

  • EINECS
  • CAS No. 96-84-4
  • Article Data2
  • CAS DataBase
  • Density 2.471g/cm3
  • Solubility
  • Melting Point 146-148 °C(lit.)
  • Formula C11H11 I3 O3
  • Boiling Point 459°Cat760mmHg
  • Molecular Weight 571.92
  • Flash Point 231.4°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of I.
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 96-84-4 (ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID)
  • Hazard Symbols
  • Synonyms Hydrocinnamicacid, a-ethyl-3-hydroxy-2,4,6-triiodo-(6CI,7CI,8CI); (?à)-Iophenoxicacid; 2-(3-Hydroxy-2,4,6-triiodobenzyl)butyric acid; Iodoprol; Iophenoic acid;Iophenoxic acid; Jodoprol; Teridax; Trilombrine; a-(2,4,6-Triiodo-3-hydroxybenzyl)butyric acid; a-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamicacid; a-Ethyl-b-(3-hydroxy-2,4,6-triiodophenyl)propionicacid
  • PSA 57.53000
  • LogP 3.85930

Iophenoxic acid Chemical Properties

IUPAC Name: 2-[(3-Hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
Synonyms of Iophenoxic acid (CAS NO.96-84-4) : 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid ; a-(2,4,6-Triiodo-3-hydroxybenzyl)butyric Acid ; a-Ethyl-3-hydroxy-2,4,6-triiodobenzenepropanoic Acid ; Benzenepropanoic acid, alpha-ethyl-3-hydroxy-2,4,6-triiodo- ; Iophenolic Acid
CAS NO:96-84-4
Molecular Formula:C11H11I3O3 
Molecular Weight :571.9166 
Molecular Structure :
Index of Refraction: 1.724 
Surface Tension: 67.8 dyne/cm 
Density: 2.471 g/cm3 
Flash Point: 231.4 °C 
Enthalpy of Vaporization: 75.8 kJ/mol 
Boiling Point: 459 °C at 760 mmHg 
Vapour Pressure: 3.22E-09 mmHg at 25°C 
Melting point: 146-148 °C(lit.)

Iophenoxic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 203mg/kg (203mg/kg) CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 476, 1953.
guinea pig LD50 intraperitoneal 570mg/kg (570mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 476, 1953.
mouse LD50 intraperitoneal 440mg/kg (440mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 476, 1953.
mouse LD50 intravenous 374mg/kg (374mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse LD50 oral 1850mg/kg (1850mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 476, 1953.
rat LD50 intraperitoneal 648mg/kg (648mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 476, 1953.
rat LD50 oral 2gm/kg (2000mg/kg)   Pharmazie. Vol. 12, Pg. 315, 1957.

Iophenoxic acid Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of I.

Hazard Codes HarmfulXn
Risk Statements 22-36/37/38
R22: Iophenoxic acid (CAS NO.96-84-4) is harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: When Iophenoxic acid (CAS NO.96-84-4) is used ,wear suitable gloves and eye/face protection.
WGK Germany 3
RTECS MW5280000

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