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
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. |
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of I−.
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- .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View