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Tritosulfuron

Tritosulfuron structure

CAS No:
142469-14-5
Formula:
C13H9F6N5O4S
Chemical Name:
Tritosulfuron
Synonyms:
Benzenesulfonamide,N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)-;N-[[[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)benzenesulfonamide;Tritosulfuron;LAB 271272;BAS 635;Biathlon;257287-30-2
Categories:
Analytical Chemistry > Standard

Description

Tritosulfuron is a sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is a sulfonamide, a member of 1,3,5-triazines, a member of (trifluoromethyl)benzenes, an aromatic ether and a member of ureas.

Tritosulfuron Basic Attributes

Molecular Weight：

445.299

Exact Mass：

445.30

EC Number：

604-291-0

UNII：

U9927AJG71

DSSTox ID：

DTXSID9057975

Characteristics

PSA：

131.55000

XLogP3：

2.84

Density：

1.7±0.1 g/cm3

Boiling Point：

461.8±55.0 °C at 760 mmHg

Flash Point：

>204 °C

Refractive Index：

1.566

Safety Information

Transport codes：

UN30779/PG3

hazard class code：

43-51/53

safety instructions：

36/37-61

Marks：

Xi,N

Precautionary statement(s)：

P273-P280-P333 + P313-P391-P501

Hazard Statements：

H317-H410

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 244 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

tritosulfuron

Tritosulfuron Use and Manufacturing

Use Classification：

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

Agrochemical：

Tritosulfuron has known environmental transformation products that include 1-(carbamoylamidino)-3-(2-trifluoromethyl-benzenesulfonyl) urea, 1-amidino-3-(2-trifluoromethyl-benzenesulfonyl) urea, 2-amino-4-methoxy-6-(trifluoromethyl)-1,3,5-triazine, and 2-trifluoromethyl-benzenesulfonamide.

Computed Properties

Molecular Weight:445.30
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:445.02794393
Monoisotopic Mass:445.02794393
Topological Polar Surface Area:132
Heavy Atom Count:29
Complexity:683
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes