Simazine information

Simazine
Names
	Preferred IUPAC name 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
Identifiers
CAS Number	122-34-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:27496 ;
ChEMBL	ChEMBL1605837 ;
ChemSpider	5027 ;
ECHA InfoCard	100.004.124
KEGG	C11172 ;
PubChem CID	5216;
UNII	SG0C34SMY3 ;
CompTox Dashboard (EPA)	DTXSID4021268 ;
	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) Key: ODCWYMIRDDJXKW-UHFFFAOYSA-N ; InChI=1/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) Key: ODCWYMIRDDJXKW-UHFFFAOYAN;
	SMILES Clc1nc(nc(n1)NCC)NCC;
Properties
Chemical formula	C7H12ClN5
Molar mass	201.66 g·mol−1
Appearance	White crystalline powder
Density	1.3 g/cm3
Melting point	225–227 °C (437–441 °F; 498–500 K)
Solubility in water	5 mg/L
Solubility in other solvents	Soluble in methanol, chloroform, and diethyl ether; slightly soluble in pentane
log P	1.9600
Vapor pressure	0.000810 mPa at 20 °C
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Simazine is an herbicide of the triazine class. The compound is used to control broad-leaved weeds and annual grasses.

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Names


Preferred IUPAC name 6-Chloro-N²,N⁴-diethyl-1,3,5-triazine-2,4-diamine
Identifiers
CAS Number	122-34-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:27496^Y
ChEMBL	ChEMBL1605837^N
ChemSpider	5027^Y
ECHA InfoCard	100.004.124
KEGG	C11172^Y
PubChem CID	5216
UNII	SG0C34SMY3^Y
CompTox Dashboard (EPA)	DTXSID4021268
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)^Y Key: ODCWYMIRDDJXKW-UHFFFAOYSA-N^Y InChI=1/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) Key: ODCWYMIRDDJXKW-UHFFFAOYAN
SMILES Clc1nc(nc(n1)NCC)NCC
Properties
Chemical formula	C₇H₁₂ClN₅
Molar mass	201.66 g·mol⁻¹
Appearance	White crystalline powder
Density	1.3 g/cm³
Melting point	225–227 °C (437–441 °F; 498–500 K)
Solubility in water	5 mg/L
Solubility in other solvents	Soluble in methanol, chloroform, and diethyl ether; slightly soluble in pentane
log P	1.9600
Vapor pressure	0.000810 mPa at 20 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references