Product Name

  • Name

    Chlorsulfuron

  • EINECS 265-268-5
  • CAS No. 64902-72-3
  • Article Data10
  • CAS DataBase
  • Density 1.536 g/cm3
  • Solubility
  • Melting Point 174-178 °C
  • Formula C12H12ClN5O4S
  • Boiling Point 563oC
  • Molecular Weight 357.777
  • Flash Point
  • Transport Information UN3077 9/PG 3
  • Appearance Colorless crystal
  • Safety 60-61-36-26
  • Risk Codes 50/53
  • Molecular Structure Molecular Structure of 64902-72-3 (Chlorsulfuron)
  • Hazard Symbols DangerousN, IrritantXi
  • Synonyms 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;DPX 4189;2-Chloro-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbony- l)benzenesulphonamide;W 4189;Tuligen;Benzenesulfonamide,2-chloro-N-[[(4-methoxy- 6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-;Khardin;DPX-W 4189;Chlorsulphuron;Glean;2-Chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulfonamide;Chlorosulfuron;2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulphonamide;TELAR;GLEAN 20DF;
  • PSA 131.55000
  • LogP 2.89710

Synthetic route

Chlorameisensaeure-N-hydroxy-norborn-5-en-2,3-dicarboximidester
99502-89-3

Chlorameisensaeure-N-hydroxy-norborn-5-en-2,3-dicarboximidester

2-Chlorbenzensulfonamid-Natriumsalz
97135-93-8

2-Chlorbenzensulfonamid-Natriumsalz

4-methoxy-6-methyl-1,3,5-triazin-2-amine
1668-54-8

4-methoxy-6-methyl-1,3,5-triazin-2-amine

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Conditions
ConditionsYield
1) THF, -5 deg C, 30 min and 2 h, r.t., 2) DMF, 3 h, r.t.; Yield given. Multistep reaction;
...Expand
2-chlorophenylsulfonyl isocyanate
64900-65-8

2-chlorophenylsulfonyl isocyanate

4-methoxy-6-methyl-1,3,5-triazin-2-amine
1668-54-8

4-methoxy-6-methyl-1,3,5-triazin-2-amine

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Conditions
ConditionsYield
In toluene at 70℃; for 8h;
2-chlorobenzenesulfonamide
6961-82-6

2-chlorobenzenesulfonamide

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1,4-diaza-bicyclo[2.2.2]octane / toluene / 20 h / 20 - 100 °C
2: toluene / 8 h / 70 °C
View Scheme
N-benzyl-trimethylammonium hydroxide
100-85-6

N-benzyl-trimethylammonium hydroxide

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

benzyltrimethylammonium chlorsulfuron

benzyltrimethylammonium chlorsulfuron

Conditions
ConditionsYield
In methanol; water at 20℃; for 0.166667h;99%
tetramethyl ammoniumhydroxide
75-59-2

tetramethyl ammoniumhydroxide

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

tetramethylammonium chlorsulfuron

tetramethylammonium chlorsulfuron

Conditions
ConditionsYield
In methanol at 20℃; for 0.166667h;95%
cholin hydroxide
123-41-1

cholin hydroxide

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

choline chlorsulfuron

choline chlorsulfuron

Conditions
ConditionsYield
In methanol; water at 20℃; for 0.166667h;90%
dichloro(1,5-cyclooctadiene)platinum(ll)
12080-32-9

dichloro(1,5-cyclooctadiene)platinum(ll)

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Pt(1,5-cyclo-octadiene)(ClC6H4SO2NC(O)NC3N3(Me)(OMe)) * 0.33 CH2Cl2

Pt(1,5-cyclo-octadiene)(ClC6H4SO2NC(O)NC3N3(Me)(OMe)) * 0.33 CH2Cl2

Conditions
ConditionsYield
With Ag2O In dichloromethane refluxing Pt-complex with equimolar amt. of urea derivative and excess Ag2O for 5 h; filtration, evapn., recrystn. (CH2Cl2/Et2O); elem. anal.;79%
1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
64902-72-3

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

A

methanol
67-56-1

methanol

B

1-(2-Chlorophenylsulfonyl)-3-(4-hydroxy-6-methyl-1,3,5-triazin-2-yl) urea

1-(2-Chlorophenylsulfonyl)-3-(4-hydroxy-6-methyl-1,3,5-triazin-2-yl) urea

Conditions
ConditionsYield
With sodium hydroxide at 25℃; pH=10; Kinetics; Further Variations:; pH-values; Hydrolysis;

Chlorsulfuron Specification

The IUPAC name of Chlorsulfuron is 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea. With the CAS registry number 64902-72-3, it is also named as Benzenesulfonamide, 2-chloro-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-. The classification codes are Agricultural Chemical; Herbicide; Herbicides; Pesticides. It is colorless crystal that the solubility is as follows: methylene chloride 102g / L, acetone 57g / L, methanol 4g / L, toluene 3g / L, hexane 10mg / L, water 100～125mg/L (pH=4.1), 27.9g/L (pH=7) at 25 °C. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.64; (8)ACD/KOC (pH 7.4): 3.5; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 81.54 cm3; (14)Molar Volume: 232.8 cm3; (15)Polarizability: 32.32×10-24 cm3; (16)Surface Tension: 72.4 dyne/cm; (17)Rotatable Bond Count: 4; (18)Tautomer Count: 9; (19)Exact Mass: 357.029852; (20)MonoIsotopic Mass: 357.029852; (21)Topological Polar Surface Area: 132; (22)Heavy Atom Count: 23; (23)Complexity: 514.

Preparation of Chlorsulfuron: It can be obtained by the addition reaction of 2-Chlorobenzenesulfonyl isocyanate and 2-amino-4-methoxy-6-methyl-1,3,5-triazine.

Uses of Chlorsulfuron: It is used to control most broadleaf weeds, such as Cardamine, shepherd's purse, Stellaria alsine, Vetch, nest dishes, Polygonum in wheat, barley, rye, oats and flax field. It also can control barnyard grass, bluegrass, crabgrass, Setaria, and other grass weeds.

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
2. InChI:InChI=1/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 unreported 5gm/kg (5000mg/kg)   Defense des Vegetaux. Vol. 37, Pg. 345, 1983.
dog LD oral > 2500mg/kg (2500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 National Technical Information Service. Vol. OTS0570808,
duck LD50 unreported 5gm/kg (5000mg/kg)   Defense des Vegetaux. Vol. 37, Pg. 345, 1983.
rabbit LD50 skin 3400mg/kg (3400mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C154, 1991.
rat LC50 inhalation > 5900mg/m3/4H (5900mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A579, Pg. 1984,
rat LD50 oral 5545mg/kg (5545mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 29, Pg. 416, 1981.

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