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135990-29-3

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Basic Information
CAS No.: 135990-29-3
Name: Triflusulfuron
Molecular Structure:
Molecular Structure of 135990-29-3 (Triflusulfuron)
Formula: C16H17 F3 N6 O6 S
Molecular Weight: 478.403
Synonyms: Debut;Triflusulfuron
Density: 1.571 g/cm3
Melting Point: 160-163ºC
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: soluble in Water ,methylene chloride,acetone,methanol,toluene ,acetonitrile
PSA: 172.09000
LogP: 2.94040
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Chemistry

Molecular Structure of Triflusulfuron (CAS No.135990-29-3):

Molecular Formula: C16H17F3N6O6S 
Molecular Weight: 478.403
CAS No: 135990-29-3
H bond acceptors: 12
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 143.51 Å2
Index of Refraction: 1.578
Molar Refractivity: 101.12 cm3
Molar Volume: 304.3 cm3
Surface Tension: 67.1 dyne/cm
Density: 1.571 g/cm3
InChI: InChI=1/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)
InChIKey: AKTQJCBOGPBERP-UHFFFAOYAA
Std. InChI: InChI=1S/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)
Std. InChIKey: AKTQJCBOGPBERP-UHFFFAOYSA-N
IUPAC Name: 2-[[4-(Dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid  

Specification

  Triflusulfuron (CAS No.135990-29-3), its synonyms are 2-({[4-(Dimethylamino)-6-(2,2,2-trifluorethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoesäure ; 2-({[4-(Dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoic acid ; Acide 2-({[4-(diméthylamino)-6-(2,2,2-trifluoroéthoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-méthylbenzoïque ; Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl- ; 2-[[[[[4-(Dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methylbenzoic Acid ; Benzoic acid, 2-(((((4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-3-methyl- .