CAS No.28159-98-0,Irgarol Suppliers

Products Categories

Pharmaceutical (85)
Organic Chemicals (22)
Others (14)
Reagent (5)
Materials (2)
Basic Inorganic Chemicals (1)
Food Additives (1)

Basic Information

Molecular Structure:
CAS No.:	28159-98-0
Name:	Irgarol
Article Data:	4

Formula:	C₁₁H₁₉N₅S
Molecular Weight:	253.371
Synonyms:	1,3,5-Triazine-2,4-diamine,N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)- (9CI);Cybutrin;Cybutryne;Irgaguard A 2000;Irgarol 1051;Irgarol 1071;Microban Additive IA 1;N-Cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine;Nuocide 1051;s-Triazine,2-(tert-butylamino)-4-(cyclopropylamino)-6-(methylthio)- (8CI);2-(Methylthio)-4-(tert-butylamino)-6-(cyclopropylamino)-s-triazine;2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine;2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine;
EINECS:	248-872-3
Density:	1.202 g/cm³
Melting Point:	128-133 °C
Boiling Point:	427.971 °C at 760 mmHg
Flash Point:	212.629 °C
Solubility:	Insoluble in water
Appearance:	White solid
Hazard Symbols:	Xi,N
Risk Codes:	43-50/53
Safety:	36/37-60-61
Transport Information:	UN 3077
PSA:	88.03000
LogP:	2.52420

Synthetic route

: 26737-71-3
N2-tert-butyl-6-chloro-N4-cyclopropyl-1,3,5-triazine-2,4-diamine

: 616-38-6
carbonic acid dimethyl ester

: 28159-98-0
2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine

Conditions

Conditions	Yield
With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate In dimethyl sulfoxide at 120℃; Inert atmosphere;	93%
With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate In dimethyl sulfoxide at 120℃; Schlenk technique; Inert atmosphere;	93%

: 4622-80-4
tert-butyl-(4-chloro-6-methylsulfanyl-[1,3,5]triazin-2-yl)-amine

: 765-30-0
Cyclopropylamine

: 28159-98-0
2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine

Conditions

Conditions	Yield
With sodium hydroxide In toluene

: 28159-98-0
2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine

: 30125-65-6
Deethylterbutryne

Conditions

Conditions	Yield
mercury dichloride In acetate buffer at 21℃; for 2h; pH=5; Kinetics; Further Variations:; pH-values; Reagents; Hydrolysis;
With mercury dichloride In water; acetonitrile at 21℃; for 2h;	14.5 mg
With dihydrogen peroxide; titanium(IV) oxide In water UV-irradiation;

: 107-21-1
ethylene glycol

: 28159-98-0
2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine

Reaxys ID: 11367229: Reaxys ID: 11367229

Conditions

Conditions	Yield
With Uniqema (HLB 6); silica gel; dibutyltin dilaurate In paraffin oil (nujol) at 25 - 40℃; for 19.4167 - 19.6667h; Product distribution / selectivity;
With poly(lauryl methacrylate)-g-poly(ethylene oxide); silica gel; dibutyltin dilaurate In paraffin oil (nujol) at 25 - 40℃; for 19.4167 - 19.6667h; Product distribution / selectivity;

Total:109 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 28159-98-0

Specification

The Irgarol, with the CAS registry number 28159-98-0, is also known as 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine. It belongs to the product category of Heterocycles. Its EINECS number is 248-872-3. This chemical's molecular formula is C₁₁H₁₉N₅S and molecular weight is 253.37. What's more, its systematic name is N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine. Its classification code is Skin / Eye Irritant.

Physical properties of Irgarol are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 160.70; (6)ACD/BCF (pH 7.4): 176.54; (7)ACD/KOC (pH 5.5): 1285.02; (8)ACD/KOC (pH 7.4): 1411.72; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 88.03 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 70.435 cm³; (15)Molar Volume: 210.865 cm³; (16)Polarizability: 27.923×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.202 g/cm³; (19)Flash Point: 212.629 °C; (20)Enthalpy of Vaporization: 68.303 kJ/mol; (21)Boiling Point: 427.971 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need efer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nc(nc(n1)NC(C)(C)C)NC2CC2)C
(2)Std. InChI: InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
(3)Std. InChIKey: HDHLIWCXDDZUFH-UHFFFAOYSA-N