Sulcotrione structure, CAS 99105-77-8

Sulcotrione

CAS Number99105-77-8

SynonymsMikado; SC0051; chlormesulone; 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione; sulcotrione; 2-[2-chloro-4-(methanesulfonyl)benzoyl]cyclohexane-1,3-dione; L6V CVTJ BVR BG DSW1; GALLEON; CHLORMESULON; 2-(2-chloro-4-methylsulfonylbenzoyl)-cyclohexane-1,3-dione; 2-(2-chloro-4-methylsulphonylbenzoyl)cyclohexane-1,3-dione; 2-(2-chloro-4-(methylsulfonyl)benzoyl)-1,3-cyclohexanwdione; 2-(2-Chlor-4-(methylsulfonyl)-benzoyl)-1,3-cyclohexandion; 2-(2-chloro-4-mesylbenzoyl)-cyclohexane-1,3-dione; 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione; ICIA0051; 2-(2-Chloro-4-mesylbenzoyl)cyclohexane-1,3-dione; 2-[2-chloro-4-(methylsulfonyl)-benzoyl]-1,3-cyclohexanedione; SULCOTRIONE,MESOTRIONE

Molecular FormulaC14H13ClO5S

Molecular Weight328.77

Purity98.00%

Density1.4±0.1 g/cm3

Boiling Point574.5±50.0 °C at 760 mmHg

Melting Point139ºC

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-9049582 Purity: 98.00%
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Quality Control of [ 99105-77-8 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number99105-77-8
Catalog No.2A-9049582
Chinese Name磺草酮
SynonymsMikado; SC0051; chlormesulone; 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione; sulcotrione; 2-[2-chloro-4-(methanesulfonyl)benzoyl]cyclohexane-1,3-dione; L6V CVTJ BVR BG DSW1; GALLEON; CHLORMESULON; 2-(2-chloro-4-methylsulfonylbenzoyl)-cyclohexane-1,3-dione; 2-(2-chloro-4-methylsulphonylbenzoyl)cyclohexane-1,3-dione; 2-(2-chloro-4-(methylsulfonyl)benzoyl)-1,3-cyclohexanwdione; 2-(2-Chlor-4-(methylsulfonyl)-benzoyl)-1,3-cyclohexandion; 2-(2-chloro-4-mesylbenzoyl)-cyclohexane-1,3-dione; 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione; ICIA0051; 2-(2-Chloro-4-mesylbenzoyl)cyclohexane-1,3-dione; 2-[2-chloro-4-(methylsulfonyl)-benzoyl]-1,3-cyclohexanedione; SULCOTRIONE,MESOTRIONE
Molecular FormulaC14H13ClO5S
Molecular Weight328.77
Purity98.00
Density1.4±0.1 g/cm3
Boiling Point574.5±50.0 °C at 760 mmHg
Melting Point139ºC
Storage Conditionroom temperature
ApplicationSulcotrione is a beta-triketone herbicide that inhibits hydroxyphenylpyruvate dioxygenase (HPPD).
HTC2930909056
PubChem ID329757134
MDL NumberMFCD01632349
SMILESCS(=O)(=O)c1ccc(c(Cl)c1)C(=O)C2C(=O)CCCC2=O
InChI1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChI KeyPQTBTIFWAXVEPB-UHFFFAOYSA-N
Beilstein/REAXYS8155739
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
BioactivitySulcotrione is a β-triketone herbicide which can inhibit hydroxyphenylpyruvate dioxygenase (HPPD). Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Target HPPD[1] In Vitro The results show that sulcotrione behaves as time-independent reversible inhibitor. Similar results are previously described for natural β-triketones, and for the synthetic β-triketone NTBC. However it is the first time that such behavior is observed using a purified hydroxyphenylpyruvate dioxygenase (HPPD) and a synthetic β-triketone, namely sulcotrione. Inhibition kinetic analysis, performing with 3 hydroxyphenylpyruvate (HPP) and sulcotrione concentrations, show that the apparent KM increasing with sulcotrione concentration. This behavior is consistent with the data present in the literature, describing sulcotrione as a competitive inhibitor of HPPD[1]. Kinase Assay Electrochemical behavior of sulcotrione at 0.2 mg/L is characterized by cyclic voltammetry. Preliminary HPPD inhibition assays are performed by incubating the enzyme during time periods ranging from 2 to 10 min in presence of sulcotrione at differnt concentrations[1]. References [1]. Rocaboy-Faquet E, et al. A novel amperometric biosensor for ß-triketone herbicides based on hydroxyphenylpyruvatedioxygenase inhibition: A case study for sulcotrione. Talanta. 2016;146:510-6. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 574.5±50.0 °C at 760 mmHg Melting Point 139ºC Molecular Formula C14H13ClO5S Molecular Weight 328.768 Flash Point 301.2±30.1 °C Exact Mass 328.017212 PSA 93.73000 LogP 0.21 Vapour Pressure 0.0±1.6 mmHg at 25°C Index of Refraction 1.572 InChIKey PQTBTIFWAXVEPB-UHFFFAOYSA-N SMILES CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
Use ofSulcotrione is a β-triketone herbicide which can inhibit hydroxyphenylpyruvate dioxygenase (HPPD). Properties Articles28 Name sulcotrione Synonym More Synonyms sulcotrione Biological Activity Description Sulcotrione is a β-triketone herbicide which can inhibit hydroxyphenylpyruvate dioxygenase (HPPD). Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others In Vitro The results show that sulcotrione behaves as time-independent reversible inhibitor. Similar results are previously described for natural β-triketones, and for the synthetic β-triketone NTBC. However it is the first time that such behavior is observed using a purified hydroxyphenylpyruvate dioxygenase (HPPD) and a synthetic β-triketone, namely sulcotrione. Inhibition kinetic analysis, performing with 3 hydroxyphenylpyruvate (HPP) and sulcotrione concentrations, show that the apparent KM increasing with sulcotrione concentration. This behavior is consistent with the data present in the literature, describing sulcotrione as a competitive inhibitor of HPPD[1]. References [1]. Rocaboy-Faquet E, et al. A novel amperometric biosensor for ß-triketone herbicides based on hydroxyphenylpyruvatedioxygenase inhibition: A case study for sulcotrione. Talanta. 2016;146:510-6. Chemical & Physical Properties Exact Mass 328.017212 PSA 93.73000 Index of Refraction 1.572 InChIKey PQTBTIFWAXVEPB-UHFFFAOYSA-N
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MSDS Transport InfoModule 14. Shipping information 14.1 United Nations number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Sulcotrione) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Sulcotrione) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Sulcotrione) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special precautions further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3),
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