CAS No.74223-64-6,2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester Suppliers,MSDS download

Products Categories

Pharmaceutical (50)
Others (31)
Agrochemicals (25)
Organic Chemicals (19)
Reagent (4)
Materials (2)
Plant Extract (1)
Food Additives (1)

Basic Information

Molecular Structure:
CAS No.:	74223-64-6
Name:	2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester
Article Data:	7

Formula:	C₁₄H₁₅N₅O₆S
Molecular Weight:	381.369
Synonyms:	Metsulfuron-methyl;Gropper;Benzoic acid,2-[[[[(4-methoxy-6-methyl-1,3,5- triazin-2-yl)amino]carbonyl]amino]sulfonyl]-,methyl ester;HCHA 92HA;Ally 20DF;Ally;Brush-off;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate;Escort (pesticide);metsulfuron methyl;2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoic acid methyl ester;DPX 6376;DPX-T 6376;ALLIE;Metsulfuron-menthyl;
Density:	1.473 g/cm³
Melting Point:	158 °C
Boiling Point:	647.2 °C at 760 mmHg
Flash Point:	345.2 °C
Solubility:	27mg/L(temperature not stated)
Appearance:	faint, sweet ester-like white to pale yellow solid
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN3077 9/PG 3
PSA:	157.85000
LogP:	2.03030

Synthetic route

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

: 26638-43-7
2-methoxycarbonylbenzenesulfonyl chloride

: 74223-64-6
Metsulfuron-methyl

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one	55%

: 74222-95-0
2-(methoxycarbonyl)benzenesulfonyl isocyanate

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

: 74223-64-6
Metsulfuron-methyl

Conditions

Conditions	Yield
In dichloromethane
In dichloromethane at 20℃; for 16h;

: 74223-64-6
Metsulfuron-methyl

A: 93-58-3
benzoic acid methyl ester

B: 57683-71-3
methyl 2-(aminosulfonyl)benzoate

C: 74222-95-0
2-(methoxycarbonyl)benzenesulfonyl isocyanate

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

E: 2-Isocyanato-4-methoxy-6-methyl-[1,3,5]triazine

F: 18712-14-6
3-(methoxy)-1,2-benzisothiazole 1,1-dioxide

Conditions

Conditions	Yield
at 800℃; for 0.00138889h; Product distribution; study of the pyrolysis of various sulfonylureas; other sulfonylureas and their products;

...Expand

: 74223-64-6
Metsulfuron-methyl

A: 67-56-1
methanol

B: methyl 2-[[[[(4-hydroxy-6-methyl-1,3,5-triazine-2-yl)amino]carbonyl]amino]sulfonyl]benzoate

Conditions

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

: 74223-64-6
Metsulfuron-methyl

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

B: (o-Methoxycarbonylphenylsulfonyl)carbamic acid

Conditions

Conditions	Yield
With phosphoric acid In various solvent(s) at 25℃; pH=1.21; Kinetics; Activation energy; Further Variations:; pH-values; Temperatures; Reagents; Hydrolysis;

: 74223-64-6
Metsulfuron-methyl

: methyl 2-[[[[(4-hydroxy-6-methyl-1,3,5-triazine-2-yl)amino]carbonyl]amino]sulfonyl]benzoate

Conditions

Conditions	Yield
at 29℃; pH=10; Kinetics; Hydrolysis;

: 74223-64-6
Metsulfuron-methyl

A: 57683-71-3
methyl 2-(aminosulfonyl)benzoate

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

C: methyl 2-[[[[(4-hydroxy-6-methyl-1,3,5-triazine-2-yl)amino]carbonyl]amino]sulfonyl]benzoate

D: methyl 2-[[[[[[[(acetylamino)carbonyl]amino]carbonyl]amino]carbonyl]amino]sulfonyl]benzoate

Conditions

Conditions	Yield
In water at 45℃; pH=2; Kinetics; Further Variations:; pH-values; Temperatures;

...Expand

: 75-24-1
trimethylaluminum

: 74223-64-6
Metsulfuron-methyl

: 75-33-2
2-propanethiol

: 74224-52-5
2-[(4-methoxy-6-methyl-[1,3,5]triazin-2-ylcarbamoyl)-sulfamoyl]-thiobenzoic acid S-isopropyl ester

Conditions

Conditions	Yield
With hydrogenchloride; aluminium In toluene
With hydrogenchloride; aluminium In toluene

...Expand

: 626-93-7
n-hexan-2-ol

: 75-24-1
trimethylaluminum

: 74223-64-6
Metsulfuron-methyl

: 74223-65-7
2-[(4-methoxy-6-methyl-[1,3,5]triazin-2-ylcarbamoyl)-sulfamoyl]-benzoic acid 1-methyl-pentyl ester

Conditions

Conditions	Yield
In dichloromethane; toluene
In dichloromethane; toluene

...Expand

: 61-82-5
3(5)-amino-1,2,4-triazole

Al(CH3)3: Al(CH3)3

: 75-24-1
trimethylaluminum

: 74223-64-6
Metsulfuron-methyl

A: 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)aminocarbonyl]aminosulfonyl]-N-(1,2,4-triazol-3-yl)benzamide

B OCH3 on triazine: OCH3 on triazine

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane; toluene

...Expand

Raw Materials

26638-43-7

1668-54-8

74222-95-0

Total:111 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 74223-64-6

Specification

The IUPAC name of Metsulfuron-methyl is methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate. With the CAS registry number 74223-64-6, it is also named as 2-(((((4-Methoxy-6-methyl-1,3,5-triazin-2yl)amino)carbonyl)amino)sulfonyl)benzoic acid methyl ester; Brush-off. The product's categories are herbicide; brush controller; alphabetic; herbicides; urea structure; alpha sort; pesticides & metabolites; others chemical reagents. It is white crystalline solid. Inaddition, the solubility in organic solvents is: dichloromethane 121g / L, acetone 36g / L, methanol 7.3g / L, ethanol 2.3g / L, xylene 580mg / L.It is an ultra-high sulfonylurea herbicides and branched-chain amino acid synthesis inhibitors. And it has efficient, broad-spectrum, the systemic characteristic. This chemical is used to control broad-leaved annual and perennial weeds in wheat field.

The other characteristics of Metsulfuron methyl can be summarized as:
(1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.27; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 11; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 87.82 cm³; (14)Molar Volume: 258.8 cm³; (15)Polarizability: 34.81×10^-24 cm³; (16)Surface Tension: 69.1 dyne/cm; (17)Enthalpy of Vaporization: 100.3 kJ/mol; (18)Vapour Pressure: 1.23E-17 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Tautomer Count: 9; (21)Exact Mass: 381.074304; (22)MonoIsotopic Mass: 381.074304; (23)Topological Polar Surface Area: 158; (24)Heavy Atom Count: 26.

Preparation of Metsulfuron methyl:
Added 2-amino-4-methoxy-6-methyl triazine 1.4g, dichloromethane 30ml and 2-sulfonyl isocyanate benzoate 2.4g to the reaction flask, stirred at room temperature for 16h. Rmoved the solvent of filtrate, the residue was ground with chlorobutane to get white crystal.

When you are using Metsulfuron methyl, 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. This material and its container must be disposed of as hazardous waste ans 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: O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C;
2. InChI: InChI=1/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21).

The following are the toxicity data of Metsulfuron methyl:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 2510mg/kg (2510mg/kg)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A669, Pg. 1984,
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S147, 1994.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	Farm Chemicals Handbook. Vol. -, Pg. C16, 1991.
rat	LC50	inhalation	> 5gm/m³/4H (5000mg/m³)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A669, Pg. 1984,
rat	LD50	oral	> 5gm/kg (5000mg/kg)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A669, Pg. 1984,