IUPAC Name: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxybenzamide
Molecular Formula: C19H12Cl3NO2
Molecular Weight: 392.663080 g/mol
Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2O)C(=O)NC3=CC=C(C=C3)Cl)Cl)Cl
InChI: InChI=1S/C19H12Cl3NO2/c20-12-3-1-11(2-4-12)16-9-14(22)10-17(18(16)24)19(25)23-15-7-5-13(21)6-8-15/h1-10,24H,(H,23,25)
Mol File: 4019-40-3.mol
XLogP3-AA: 6.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 7
Exact Mass: 390.993362
MonoIsotopic Mass: 390.993362
Topological Polar Surface Area: 49.3
Heavy Atom Count: 25
Complexity: 448
Classification Code: Agricultural Chemical,Insecticide
Index of Refraction: 1.686
Molar Refractivity: 267.8 cm3
Molar Volume: 205.4 cm3
Polarizability: 40.43 10-24cm3
Surface Tension: 59.1 dyne/cm
Density: 1.465 g/cm3
Flash Point: 248.9 °C
Enthalpy of Vaporization: 78.26 kJ/mol
Boiling Point: 487.9 °C at 760 mmHg
Vapour Pressure of 5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide (CAS NO.4019-40-3): 3.81E-10 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 73mg/kg (73mg/kg) | Biochemical Pharmacology. Vol. 18, Pg. 1389, 1969. | |
rat | LD50 | oral | 2810mg/kg (2810mg/kg) | Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 16, 1966. |
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition 5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide (CAS NO.4019-40-3) emits very toxic fumes of Cl− and NOx.
5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide (CAS NO.4019-40-3),its Synonyms are (1,1'-Biphenyl)-3-carboxamide, 4',5-dichloro-N-(4-chlorophenyl)-2-hydroxy- ; 4',5-Dichloro-N-(4-chlorophenyl)-2-hydroxy-(1,1'-biphenyl)-3-carboxamide ; AI3-27139 ; BRN 2773721 ; Salicylanilide, 3-(4-chlorophenyl)-4',5-dichloro- .
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