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| Name |
Iopanoic acid |
EINECS | 202-539-9 |
| CAS No. | 96-83-3 | Density | 2.427 g/cm3 |
| PSA | 63.32000 | LogP | 4.31710 |
| Solubility | 348.3mg/L(37 oC) | Melting Point |
153 °C |
| Formula | C11H12I3NO2 | Boiling Point | 529.058 °C at 760 mmHg |
| Molecular Weight | 570.935 | Flash Point | 273.765 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-26-36/37/39 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Hydrocinnamicacid, 3-amino-a-ethyl-2,4,6-triiodo-(6CI,7CI,8CI);2-(3-Amino-2,4,6-triiodobenzyl)butyric acid;3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid;3-Amino-a-ethyl-2,4,6-triiodohydrocinnamicacid;Bilijodon;Cholevid;Colepax;Copanoic;Iodopanoic acid;Iopagnost;Iopanoicum;NSC41706;a-Ethyl-b-(3-amino-2,4,6-triiodophenyl)propionicacid; |
Iopanoic acid Synthetic route
- 16623-25-9
2-(3-amino-benzyl)-butyric acid
- 96-83-3
iopanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; Iodine monochloride |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Raney nickel; sodium hydroxide; diethyl ether / Hydrogenation 2: iodine monochloride; aqueous hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature; | 98% |
- 96-83-3
iopanoic acid
- 79-04-9
chloroacetyl chloride
- 80980-80-9
3-<(chloroacetyl)amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid
| Conditions | Yield |
|---|---|
| With ISOPROPYLAMIDE for 0.5h; Ambient temperature; | 95% |
| With hydrogenchloride; sodium hydroxide In water; 2,4-dichlorophenoxyacetic acid dimethylamine | 95.3% |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature; | 95% |
| With sodium hydride; 1,1'-carbonyldiimidazole 1) THF, reflux, 10 min; 2) THF, room temperature, 1 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature; | 93% |
- 62147-49-3
1,3-dihydroxyacetone dimer
- 96-83-3
iopanoic acid
- 103959-66-6
1,3-dihydroxypropan-2-one 1,3-diiopanoate
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane for 66h; | 85% |
| Conditions | Yield |
|---|---|
| With thionyl chloride for 3h; Heating; | 82.4% |
- 79-37-8
oxalyl dichloride
- 61435-75-4
6-<(chloroacetyl)amino>hexanoic acid
- 96-83-3
iopanoic acid
- 160982-41-2
3-<<6-<(chloroacetyl)amino>-1-oxohexyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid
| Conditions | Yield |
|---|---|
| With pyridine; hydrogenchloride In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile | 79% |
- 96-83-3
iopanoic acid
- 69256-58-2
1-palmitoyl-3-O-trityl-rac-glycerol
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature; | 60% |
Iopanoic acid Chemical Properties
IUPAC Name: 2-[(3-Amino-2,4,6-triiodo-phenyl)methyl]butanoic acid
CAS: 96-83-3
EINECS: 202-539-9
Product Categories:
Following is the Molecular Structure of Iopanoic acid (96-83-3):
SMILES: Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC
InChI: InChI=1/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey: OIRFJRBSRORBCM-UHFFFAOYAN
Std.InChI: InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
Std.InChIKey: OIRFJRBSRORBCM-UHFFFAOYSA-N
Molecular Formula: C11H12I3NO2
Molecular Weight: 570.93
Melting Point: 153℃
Boiling Point: 529.1℃ at 760mmHg
Flash Point: 273.8℃
Molar Volume: 235.2cm3
Density: 2.426g/cm3
Index of Refraction: 1.732
Molar Refractivity: 94.18cm3
Surface Tension: 67.7dyne/cm
Polarizability: 37.33 10-24cm3
Enthalpy of Vaporization: 84.63kJ/mol
Vapour Pressure: 5.06E-12mmHg at 25℃
Iopanoic acid Uses
Iopanoic acid (96-83-3) can be used for the medication.
Iopanoic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TDLo | oral | 86mg/kg/1W-I (86mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Archives of Dermatology. Vol. 123, Pg. 387, 1987. |
| mouse | LD50 | intraperitoneal | 1230mg/kg (1230mg/kg) | Drugs in Japan Vol. -, Pg. 103, 1990. | |
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970. | |
| mouse | LD50 | oral | 6600mg/kg (6600mg/kg) | Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970. | |
| rat | LD50 | intraperitoneal | 1520mg/kg (1520mg/kg) | Drugs in Japan Vol. -, Pg. 103, 1990. | |
| rat | LD50 | intravenous | 280mg/kg (280mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969. |
| rat | LD50 | oral | 1540mg/kg (1540mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969. |
| women | TDLo | oral | 60mg/kg (60mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: THROMBOCYTOPENIA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Clinical Toxicology. Vol. 18, Pg. 221, 1981. |
Iopanoic acid Safety Profile
Risk Statements: 20/21/22
R20: Harmful by inhalation.
R21: Harmful in contact with skin.
R22: Harmful if swallowed.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RTECS: NW5075000
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Human systemic effects by ingestion: dermatitis, nausea or vomiting, thrombocytopenia. Experimental reproductive effects.
Iopanoic acid Specification
Iopanoic acid (96-83-3),which also can be called for 3-Amino-alpha-ethyl-2,4,6-triiodo-benzenepropanoicaci ; 3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoicacid ; 3-Amino-alpha-ethyl-2,4,6-triiodo-hydrocinnamicaci ; 3-Amino-ethyl-2,4,6-triiodobenaenepropanoicacid ; 3-Amino-ethyl-2,4,6-triiodohydrocinnamicacid ; Beta-(3-amino-2,4,6-triiodophenyl)-alpha-ethylpropionicacid ; Bilijodon ; Choladine .When Iopanoic acid (96-83-3) was heated,it emits toxic fumes of I− and NOx .This chemical is insoluble in water.
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