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96-84-4

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Basic Information
CAS No.: 96-84-4
Name: ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 96-84-4 (ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID)
Formula: C11H11 I3 O3
Molecular Weight: 571.92
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
Density: 2.471g/cm3
Melting Point: 146-148 °C(lit.)
Boiling Point: 459°Cat760mmHg
Flash Point: 231.4°C
Hazard Symbols:
Risk Codes: 22-36/37/38
Safety: Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of I−.
PSA: 57.53000
LogP: 3.85930
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Chemistry

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.)

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.

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