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CAS No.: | 2592-62-3 |
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Name: | BAY38920 |
Molecular Structure: | |
Formula: | C11H10 Cl6 O2 |
Molecular Weight: | 386.917 |
Synonyms: | 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-6,9-methano-2,4-benzodioxepin;BAY 38920; Bayer 38920; ENT-25700-X |
Density: | 1.67g/cm3 |
Boiling Point: | 404.4°C at 760 mmHg |
Flash Point: | 143.6°C |
Safety: | Poison by ingestion. When heated to decomposition it emits toxic fumes of Cl−. |
PSA: | 18.46000 |
LogP: | 4.45710 |
Molecular Formula: C11H10Cl6O2
Molecular Weight: 386.913900 g/mol
Canonical SMILES: C1([C@@]2(Cl)[C@@H]3[C@@H]([C@@]1(C(=C2Cl)Cl)Cl)COC(C)OC3)(Cl)Cl
InChI: InChI=1/C11H10Cl6O2/c1-4-18-2-5-6(3-19-4)10(15)8(13)7(12)9(5,14)11(10,16)17/h4-6H,2-3H2,1H3
XLogP3: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Exact Mass: 385.878246
MonoIsotopic Mass: 383.881196
Topological Polar Surface Area: 18.5
Heavy Atom Count: 19
Complexity: 428
Classification Code: Agricultural Chemical,Unspecified / Unclassified pesticide
Index of Refraction: 1.595
Molar Refractivity: 78.74 cm3
Molar Volume: 231.6 cm3
Polarizability: 31.21×10-24cm3
Surface Tension: 51 dyne/cm
Density: 1.67 g/cm3
Flash Point: 143.6 °C
Enthalpy of Vaporization: 63.04 kJ/mol
Boiling Point: 404.4 °C at 760 mmHg
Vapour Pressure of 6,9-Methano-2,4-benzodioxepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl- (CAS NO.2592-62-3): 2.21E-06 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 50mg/kg (50mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
rat | LD50 | oral | 120mg/kg (120mg/kg) | Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 4, 1966. |
Poison by ingestion. When heated to decomposition 6,9-Methano-2,4-benzodioxepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl- (CAS NO.2592-62-3) emits toxic fumes of Cl−.
6,9-Methano-2,4-benzodioxepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl- (CAS NO.2592-62-3),its Synonyms are 2,4-Benzodioxepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-3-methyl- ; 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-6,9-methano-2,4-benzdioxepin ; 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-6,9-methano-2,4-benzodioxepin .