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Clodinafop-propargyl

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Name

Clodinafop-propargyl

EINECS N/A
CAS No. 105512-06-9 Density 1.326 g/cm3
PSA 57.65000 LogP 3.61010
Solubility N/A Melting Point 48-57 °C
Formula C17H13ClFNO4 Boiling Point 432.7 °C at 760 mmHg
Molecular Weight 349.746 Flash Point 215.5 °C
Transport Information UN 2811 Appearance White crystal powder.
Safety 36/37-60-61 Risk Codes 20/22-43-50/53
Molecular Structure Molecular Structure of 105512-06-9 (Clodinafop-propargyl) Hazard Symbols HarmfulXn,DangerousN
Synonyms

Propanoic acid,2-[4-[(5-chloro-3-fluoro-2- pyridinyl)oxy]phenoxy]-,2-propynyl ester,(2R)-;Topik;CGA 184927;Propynyl(R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy] phenoxy]propanoate;Clodinafop-propargyl 60%WP;Clodinafop-propargyl 96%;Clethodim 12%EW;Propynyl (R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate;

Article Data 18

Clodinafop-propargyl Specification

The IUPAC name of Clodinafop Propargyl is prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate. With the CAS registry number 105512-06-9, it is also named as Propanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester, (2R)-. The product's categories are Alpha Sort; CI - CL Pesticides & Metabolites; Herbicides; Pesticides & Metabolites; Phenoxy Structure. In addition, this chemical should be stored at the temperature of 0-6 °C.

The other characteristics of Clodinafop Propargyl can be summarized as: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.44; (6)ACD/BCF (pH 7.4): 34.44; (7)ACD/KOC (pH 5.5): 438.37; (8)ACD/KOC (pH 7.4): 438.37; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 85.08 cm3; (14)Molar Volume: 263.5 cm3; (15)Polarizability: 33.72×10-24 cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Enthalpy of Vaporization: 68.85 kJ/mol; (18)Vapour Pressure: 1.09E-07 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Exact Mass: 349.051714; (21)MonoIsotopic Mass: 349.051714; (22)Topological Polar Surface Area: 57.6; (23)Heavy Atom Count: 24; (24)Complexity: 461; (25)Defined Atom StereoCenter Count: 1.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and if swallowed, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it may cause sensitization by skin contact. If you want to contact this product, you must wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OCC#C)[C@H](Oc2ccc(Oc1ncc(Cl)cc1F)cc2)C
2. InChI:InChI=1/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1 
3. InChIKey:JBDHZKLJNAIJNC-LLVKDONJBQ

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