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| Name |
Iodophthalein |
EINECS | N/A |
| CAS No. | 386-17-4 | Density | 2.67g/cm3 |
| PSA | 66.76000 | LogP | 5.97850 |
| Solubility | N/A | Melting Point |
268 °C (dec.)(lit.) |
| Formula | C20H10 I4 O4 | Boiling Point | 658.1°Cat760mmHg |
| Molecular Weight | 821.915 | Flash Point | 351.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of I−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenolphthalein,3',3'',5',5''-tetraiodo- (6CI,7CI,8CI); 3,3',5,5'-Tetraiodophenolphthalein;3',3'',5',5''-Tetraiodophenolphthalein; Iodophthalein; NSC 164900; NSC 4904;Nosophen; Nosophene; Tetraiodophenolphthalein |
Iodophthalein Chemical Properties
Product Name: Iodophthalein (CAS NO.386-17-4)
Molecular Formula: C20H10I4O4
Molecular Weight: 821.91g/mol
Mol File: 386-17-4.mol
Einecs: 206-857-9
Melting Point: 268 °C (dec.)(lit.)
Boiling point: 658.1 °C at 760 mmHg
Flash Point: 351.8 °C
Density: 2.67 g/cm3
Surface Tension: 93.3 dyne/cm
Enthalpy of Vaporization: 101.79 kJ/mol
Vapour Pressure: 3.23E-18 mmHg at 25°C
XLogP3-AA: 6.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Iodophthalein (CAS NO.386-17-4):
IUPAC Name: 3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I
InChI: InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChIKey: FWQKRBDABCRWKV-UHFFFAOYSA-N
Iodophthalein Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| duck | LD50 | oral | 79200ug/kg (79.2mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Veterinariya. Veterinary Science. Vol. 54(5), Pg. 64, 1978. |
| rat | LD50 | intravenous | 310mg/kg (310mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Klinische Wochenscrift. Vol. 20, Pg. 125, 1941. |
| rat | LD50 | oral | 2800mg/kg (2800mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Klinische Wochenscrift. Vol. 20, Pg. 125, 1941. |
Iodophthalein Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of I−.
Iodophthalein Specification
Iodophthalein ,its CAS NO. is 386-17-4,the synonyms is Iodophthalein sodium free acid ; 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3,5-diiodophenyl)- 3',3'',5',5''-Tetraiodophenolphthalein ; 4-18-00-01949 (Beilstein Handbook Reference) ; BRN 0351654 ; EINECS 206-857-9 ; Jodphthaleinum ; 3,3-Bis(4-hydroxy-3,5-diiodophenyl)-1(3H)-isobenzofuranone ; 3,3-Bis(4-hydroxy-3,5-diiodophenyl)phthalide ; Phenolphthalein, 3',3'',5',5''-tetraiodo- .
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