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112839-32-4
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Basic Information
CAS No.: 112839-32-4
Name: cis-Furconazole
Molecular Structure:
Molecular Structure of 112839-32-4 (cis-Furconazole)
Formula: C15H14 Cl2 F3 N3 O2
Molecular Weight: 396.22
Synonyms: 1H-1,2,4-Triazole,1-[[2-(2,4-dichlorophenyl)tetrahydro-5-(2,2,2-trifluoroethoxy)-2-furanyl]methyl]-,cis-; Furconazole-cis; LS 840606; cis-Furconazole
Density: 1.52g/cm3
Boiling Point: 489.9°Cat760mmHg
Flash Point: 250.1°C
Safety: Moderately toxic by ingestion and skin contact routes. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
PSA: 49.17000
LogP: 4.19580
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    cis-Furconazole

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Chemistry

UPAC Name: 1-[[(2R,5R)-2-(2,4-dichlorophenyl)-5-(2,2,2-trifluoroethoxy)oxolan-2-yl]methyl]-1,2,4-triazole
Molecular Formula: C15H14Cl2F3N3O2
Molecular Weight: 396.19177g/mol
Index of Refraction: 1.582
Molar Refractivity: 86.74 cm3
Molar Volume: 259.7 cm3
Polarizability: 34.38×10-24cm3
Surface Tension: 44 dyne/cm
Density: 1.52 g/cm3
Flash Point: 250.1 °C
Enthalpy of Vaporization: 75.63 kJ/mol
Boiling Point: 489.9 °C at 760 mmHg
Vapour Pressure: 9.57E-10 mmHg at 25°C
Canonical SMILES: C1CC(OC1OCC(F)(F)F)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
Isomeric SMILES: C1C[C@](O[C@H]1OCC(F)(F)F)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2/t13-,14+/m1/s1
InChIKey: ULCWZQJLFZEXCS-KGLIPLIRSA-N
Structure of cis-Furconazole (CAS NO.112839-32-4):

Toxicity Data With Reference

1.    

orl-rat LD50:450 mg/kg

     PEMNDP    Pesticide Manual. 9 (1991),450.
2.    

skn-rat LD50:>2 g/kg

     PEMNDP    Pesticide Manual. 9 (1991),450.

Safety Profile

Moderately toxic by ingestion and skin contact routes. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.

Specification

  Cis-Furconazole , its cas register number is 112839-32-4. It also can be called BRN 3571881 ; Furconazole-cis ; LS 840606 ; cis-Furconazole . And cis-Furconazole (CAS NO.112839-32-4) is moderately toxic by ingestion and skin contact routes. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.