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  • Flazasulfuron
Name:Flazasulfuron
CAS No:104040-78-0

PRODUCT DESCRIPTION

【Name】
Flazasulfuron
【Iupac name】
1-(4,
6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)pyridin-2-yl]
sulfonylurea
【CAS Registry number】
104040-78-0
【Synonyms】
1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-trifluoromethyl-2-pyridylsulfonyl)urea
Chikara
Katana
OK 1166
SL 160
Shibagen
2-Pyridinesulfonamide,N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(trifluoromethyl)-
【Molecular Formula】
C13H12F3N5O5S (Products with the same molecular formula)
【Molecular Weight】
407.32
【Inchi】
InChI=1/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
【Canonical SMILES】
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC
【MOL File】
104040-78-0.mol

Chemical and Physical Properties

【Density】
1.553 g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.549
【Flash Point】
°C
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:407.32509 [g/mol]
Molecular Formula:C13H12F3N5O5S
XLogP3-AA:2
H-Bond Donor:2
H-Bond Acceptor:9
Rotatable Bond Count:5
Tautomer Count:5
Exact Mass:407.051124
MonoIsotopic Mass:407.051124
Topological Polar Surface Area:141
Heavy Atom Count:27
Formal Charge:0
Complexity:602
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:1
CID Conformer Count:79

Safety and Handling

【Hazard Codes】
N:Environmental hazardous substances;
【Risk Statements】
R50/53
【Safety Statements 】
S60;S61
【Safety】

Moderately toxic by skin contact route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of SOx, NOx, and F
Hazard Codes:
DangerousN 
Risk Statements:
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements:
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3077 9/PG 3 
RTECS: UT7930000

【Transport】
UN3077 9/PG 3
【Report】

Reported in EPA TSCA Inventory.

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