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Sulcotrione

Sulcotrione structure

CAS No:
99105-77-8
Formula:
C14H13ClO5S
Chemical Name:
Sulcotrione
Synonyms:
1,3-Cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)benzoyl]-;2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione;ICI-A 0051;SC 0051;Sulcotrione;Mikado;Chlormesulone;114680-61-4;123174-48-1
Categories:
Analytical Chemistry > Standard

Description

Sulcotrione is a β-triketone herbicide which can inhibit hydroxyphenylpyruvate dioxygenase (HPPD).

Sulcotrione is an aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2. It has a role as an environmental contaminant, a xenobiotic, a herbicide and a carotenoid biosynthesis inhibitor. It is an aromatic ketone, a sulfone, a member of cyclohexanones and a beta-triketone.

Sulcotrione Basic Attributes

Molecular Weight：

328.77

Exact Mass：

328.77

EC Number：

619-394-6

UNII：

5UEH9SXW7V

DSSTox ID：

DTXSID9058230

HScode：

2930909056

Characteristics

PSA：

93.7

XLogP3：

0.21

Density：

1.4±0.1 g/cm3

Melting Point：

139 °C

Boiling Point：

574.5±50.0 °C at 760 mmHg

Flash Point：

301.2±30.1 °C

Refractive Index：

1.572

Water Solubility：

5.02e-04 M

Vapor Pressure：

3.75e-08 mmHg

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

43-50/53-48/22-63

safety instructions：

36/37-61-60-22

Marks：

Xi,N,Xn

Precautionary statement(s)：

P273-P281-P501

Hazard Statements：

H361-H373-H410

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P260, P261, P272, P273, P280, P281, P302+P352, P308+P313, P314, P321, P333+P313, P363, P391, P405, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 334 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 35 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE. (See all compounds classified as Herbicides.)

MeSH Entry Terms：

2-(2-chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione

Sulcotrione Use and Manufacturing

Uses

Herbicide.

Use Classification：

Agrochemicals -> Herbicides|Herbicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Sulcotrione has known environmental transformation products that include Butanedioic acid, ICIA0051-CMBA, and Pentanedioic acid.

Computed Properties

Molecular Weight:328.8
XLogP3:1.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:328.0172224
Monoisotopic Mass:328.0172224
Topological Polar Surface Area:93.7
Heavy Atom Count:21
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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