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76674-14-1

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Basic Information
CAS No.: 76674-14-1
Name: 1,1-bis(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Molecular Structure:
Molecular Structure of 76674-14-1 (1,1-bis(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol)
Formula: C16H13 F2 N3 O
Molecular Weight: 301.32
Synonyms: ICI151291; R 151885
Density: 1.29g/cm3
Boiling Point: 494.8°C at 760 mmHg
Flash Point: 253.1°C
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and F−.
PSA: 50.94000
LogP: 2.49240
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Chemistry

Empirical Formula of R 151885 (CAS NO.76674-14-1): C16H13F2N3O
Molecular Weight: 301.2907 g/mol
Index of Refraction: 1.6
Density: 1.29 g/cm3
Flash Point: 253.1 °C
Enthalpy of Vaporization: 80.27 kJ/mol
Boiling Point: 494.8 °C at 760 mmHg
Vapour Pressure: 1.31E-10 mmHg at 25 °C
Structure of R 151885 (CAS NO.76674-14-1):
                      
IUPAC Name: 1,1-Bis(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Canonical SMILES: C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
InChI: InChI=1S/C16H13F2N3O/c17-14-5-1-12(2-6-14)16(22,9-21-11-19-10-20-21)13-3-7-15(18)8-4-13/h1-8,10-11,22H,9H2
InChIKey: OGZYWIZILQBEJI-UHFFFAOYSA-N

Safety Profile

Experimental reproductive effects. When heated to decomposition R 151885 (CAS NO.76674-14-1) emits toxic fumes of NOx and F−.

Specification

 R 151885 , its cas register number is 76674-14-1. It also can be called alpha,alpha-Bis(4-fluorophenyl)-as-triazoleethanol
; 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-fluorophenyl)- ; and 1,1-Di(4-fluorophenyl)-2-(1,2,4-triazole-1-yl)-ethanol .