Chemical Name: Simazine
Molecular Formula: CH3CH2NH(C3N3Cl)NHCH2CH3
Molecular Weight: 201.66
InChI Key: ODCWYMIRDDJXKW-UHFFFAOYSA-N
InChI: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Refractive_Index:	1.617
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Flash_Point:	116.4±22.6 °C
LogP:	1.19
Bolling_Point:	268.9±23.0 °C at 760 mmHg
Water_Solubility:	0.0005 g/100 mL
FW:	201.657
PSA:	62.73000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :5 ', '6. TPSA 627 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :131 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	225°C
MF:	C7H12ClN5
Exact_Mass:	201.078125
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 4805 ', '2 . Molar volume 1511 ', '3 . Parachor （902K）4064 ', '4 . Surface tension 523 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1905']
Density:	1.4±0.1 g/cm3
More_Info:	['1 . Appearance 纯品为White 结晶。 2 . Density（g/mL ,25/4℃）1302 ', '3 . Melting point（℃）226～227 ', '4 蒸汽压（kpa,20ºC）813×10-7 ', '5 . Solubility Insoluble in Water ，甲醇中的溶解度为400ppm微Soluble in 二氧六环and 乙二醇 Ethyl ether 。 ', '6 毒性对人畜毒性小 7 稳定性稳定']

Symbol:	GHS07, GHS08, GHS09
RIDADR:	3077
HS_Code:	2933699011
Packing_Group:	III
Risk_Statements(EU):	R40;R50/53
Personal_Protective_Equipment:	Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
RTECS:	XY5250000
Hazard_Codes:	Xn:Harmful
Warning_Statement:	P273-P281-P305 + P351 + P338-P501
Safety_Statements:	H302-H319-H351-H410