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87676-93-5

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CAS No.: 87676-93-5
Name: alpha-(2-Fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
Article Data: 11
Molecular Structure:
Molecular Structure of 87676-93-5 (alpha-(2-Fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol)
Formula: C16H13F2N3O
Molecular Weight: 301.296
Synonyms: GJBIOCHEM FUNGICIDE
Density: 1.29 g/cm3
Melting Point: 130ºC
Boiling Point: 506.5 °C at 760 mmHg
Flash Point: 260.1 °C
Appearance: White crystal
Hazard Symbols: R22:;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 50.94000
LogP: 2.49240
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    Name:Flutriafol The alias：(RS)-2,4-difluoro-α-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol CAS NO:87676-93-5 Molecular formula：C16H13F2N3O Molecular weight:301.2907 Product Quality 12 years of chemical raw materials Mature operati

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    (?-A-(2-FLUOROPHENYL)-A-(4-FLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    Flutriafol Common name: flutriafol(BSI,ANSI,ISO draft) Trade name:Armour; Impact, Vaspact Other name:flutriafen, PP140, PP450, TF-3673, TF36…

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Specification

This chemical is called Flutriafen, and its systematic name is 1-(2-Fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol. With the molecular formula of C16H13F2N3O, its molecular weight is 301.29. The CAS registry number of this chemical is 87676-93-5. Additionally, its classification codes are Agricultural Chemical; Fungicide, bactericide, wood preservative.

Other characteristics of the Flutriafen can be summarised as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.57; (6)ACD/BCF (pH 7.4): 33.69; (7)ACD/KOC (pH 5.5): 429.94; (8)ACD/KOC (pH 7.4): 431.55; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 39.94 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 79.82 cm3; (15)Molar Volume: 233.3 cm3; (16)Polarizability: 31.64×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 260.1 °C; (20)Enthalpy of Vaporization: 81.75 kJ/mol; (21)Boiling Point: 506.5 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1ccc(cc1)C(O)(c2ccccc2F)Cn3ncnc3
2.InChI: InChI=1/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
3.InChIKey: JWUCHKBSVLQQCO-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 5670mg/kg (5670mg/kg)   Defense des Vegetaux. Vol. 44(262), Pg. 28, 1990.