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Isoxaflutole

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Isoxaflutole / CAS : 141112-29-0

Appearance White crystalline solid UN 3077 9/PG 3
HS 0.0 DG Class 3
Synonyms (5-Cyclopropyl-1,2-Oxazol-4-Yl)-[2-Methylsulfonyl-4-(Trifluoromethyl)Phenyl]Methanone; (5-Cyclopropyl-1,2-Oxazol-4-Yl)(α,α,α-Trifluoro-2-Mesyl-P-Tolyl)Methanone; 5-Cyclopropyl-4-[2-(Methylsulfonyl)-4-(Trifluoromethyl)Benzoyl]Isoxazole; Isoxaflutole (Iso) 5-Cyclopropyl-1,2-Oxazol-4-Yl α,α,α-Trifluoro-2-Mesyl-P-Tolyl Ketone
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Properties

Summary

Formula
C15H12F3NO4S
Molecular Mass
359.32000
Exact Mass
359.04400
PSA
85.62000
Logp
4.28610
IUPAC
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3

Attribute classification

Matter Classification
organic
Category
Agrochemicals > Pesticides

Chemical and Physical Properties

Melting Point
138-138.5° (Cain); mp 140°
Density
1.455 g/cm3
Boiling Point
575.1ºC at 760 mmHg
Flash Point
301.6ºC
Appearance
White crystalline solid

Export information

HS Code
0.0
UN No.
3077 9/PG 3
DG-Class
3
Risk Code
R50/53
Safety Label
Xn; N

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