CAS No.34123-59-6,Isoproturon Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	34123-59-6
Name:	Isoproturon
Article Data:	17

Formula:	C₁₂H₁₈N₂O
Molecular Weight:	206.288
Synonyms:	Urea,3-p-cumenyl-1,1-dimethyl- (7CI);3-(4-Isopropylphenyl)-1,1-dimethylurea;Alon;Alon (pesticide);Arelon;Arelon Dyspersyjny;CGA 18731;CL 12150;HOE 16410;Hora-Flo;IP-Flo;IPU Stefes;Ipuron;Iralon;Isoflo (herbicide);Izoturon;N,N-Dimethyl-N'-(4-isopropylphenyl)urea;N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]urea;N-(4-Isopropylphenyl)-N',N'-dimethylurea;Nocilon;N'-(4-Isopropylphenyl)-N,N-dimethylurea;N'-(p-Cumenyl)-N,N-dimethylurea;N'-(p-Isopropylphenyl)-N,N-dimethylurea;Protugan;Tolkan;Tolkan Flo;
EINECS:	251-835-4
Density:	1.05 g/cm³
Melting Point:	158 °C
Boiling Point:	353.2 °C at 760 mmHg
Flash Point:	167.4 °C
Solubility:	60mg/L(20 oC)
Appearance:	colorless solid
Hazard Symbols:	Xi,N,Xn,F
Risk Codes:	40-50/53-36-20/21/22-11
Safety:	36/37-60-61-26
Transport Information:	UN 3077
PSA:	32.34000
LogP:	2.97650

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Specification

The Isoproturon, with the CAS registry number 34123-59-6, is also known as 3-(4-Isopropylphenyl)-1,1-dimethylurea. It belongs to the product categories of Active Agrochemical Ingredients; Herbicide; Alpha Sort; Alphabetic; Herbicides; H-MAnalytical Standards; IPesticides & Metabolites; Pesticides & Metabolites; Urea Structure; Amines; Aromatics. Its EINECS registry number is 251-835-4. This chemical's molecular formula is C₁₂H₁₈N₂O and molecular weight is 206.28. What's more, its IUPAC name is called 1,1-Dimethyl-3-(4-propan-2-ylphenyl)urea. This chemical can be prepared by Isopropyl benzene isocyanate with Dimethylamine. It is used as pre-and post-emergence herbicide for control of annual grasses and broad-leaved weeds.

Physical properties about Isoproturon are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.52; (6)ACD/BCF (pH 7.4): 92.52; (7)ACD/KOC (pH 5.5): 889.29; (8)ACD/KOC (pH 7.4): 889.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 63.064 cm³; (15)Molar Volume: 196.349 cm³; (16)Surface Tension: 39.2719993591309 dyne/cm; (17)Density: 1.051 g/cm³; (18)Flash Point: 167.406 °C; (19)Enthalpy of Vaporization: 59.809 kJ/mol; (20)Boiling Point: 353.194 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and may present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes and it has limited evidence of a carcinogenic effect. This chemical very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing to the environment. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)C(C)C)N(C)C
(2) InChI: InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
(3) InChIKey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
domestic animals - goat/sheep	LD	oral	> 500mg/kg (500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED	Journal of Agricultural and Food Chemistry. Vol. 46, Pg. 178, 1998.
guinea pig	LD	oral	> 9gm/kg (9000mg/kg)		Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 274, Pg. 2053, 1972.
mouse	LD50	oral	3350mg/kg (3350mg/kg)		Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 274, Pg. 2053, 1972.
pigeon	LD50	oral	> 5gm/kg (5000mg/kg)		Pesticide Manual. Vol. 9, Pg. 507, 1991.
quail	LD50	oral	3042mg/kg (3042mg/kg)		Pesticide Manual. Vol. 9, Pg. 507, 1991.
rat	LC50	inhalation	> 670mg/m³/4H (670mg/m³)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A238, Pg. 1983,
rat	LD50	oral	1826mg/kg (1826mg/kg)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A238, Pg. 1983,
rat	LD50	skin	> 2gm/kg (2000mg/kg)		"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A238, Pg. 1983,
rat	LD50	unreported	1043mg/kg (1043mg/kg)		Indian Journal of Experimental Biology. Vol. 28, Pg. 862, 1990.