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Isoxaflutole

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Isoxaflutole

EINECS 277-704-1
CAS No. 141112-29-0 Density 1.455 g/cm3
PSA 85.62000 LogP 4.28610
Solubility N/A Melting Point 138-138.5° (Cain); mp 140°
Formula C15H12F3NO4S Boiling Point 575.1 °C at 760 mmHg
Molecular Weight 359.326 Flash Point 301.6 °C
Transport Information N/A Appearance N/A
Safety 36/37-60-61 Risk Codes 50/53-63
Molecular Structure Molecular Structure of 141112-29-0 (ISOXAFLUTOLE) Hazard Symbols HarmfulXn,DangerousN
Synonyms

Balance;Balance Pro;EXP 30953;EXP 31130A;Isoxaflutole;Merlin;RP 201772;RPA 201772;

Article Data 9

Isoxaflutole Specification

The Methanone,(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- is an organic compound with the formula C15H12F3NO4S. The IUPAC name of this chemical is (5-cyclopropyl-1, 2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone. With the CAS registry number 141112-29-0, it is also named as 4-(2-Methanesulphonyl-4-trifluoromethylbenzoyl)-5-cyclopropyl Isoxazole. The product's classification code is Herbicide.

Physical properties about Methanone,(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 11.04; (5)ACD/BCF (pH 7.4): 11.04; (6)ACD/KOC (pH 5.5): 194.14; (7)ACD/KOC (pH 7.4): 194.14; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 85.62 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 76.74 cm3; (13)Molar Volume: 246.8 cm3; (14)Polarizability: 30.42×10-24cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.455 g/cm3; (17)Flash Point: 301.6 °C; (18)Enthalpy of Vaporization: 86.14 kJ/mol; (19)Boiling Point: 575.1 °C at 760 mmHg; (20)Vapour Pressure: 3.15E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Besides, this chemical is possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(onc1)C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F
(2)InChI: InChI=1/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
(3)InChIKey: OYIKARCXOQLFHF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
(5)Std. InChIKey: OYIKARCXOQLFHF-UHFFFAOYSA-N

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