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Simazine

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Identification
Molecular formula
C7H12ClN5
CAS number
122-34-9
IUPAC name
6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
State
State

At room temperature, simazine is in a solid state, specifically white crystalline powder.

Melting point (Celsius)
225.00
Melting point (Kelvin)
498.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
201.66g/mol
Molar mass
201.6600g/mol
Density
1.3100g/cm3
Appearence

Simazine is a white crystalline solid. It is odorless and has a slightly bitter taste. At room temperature, simazine usually appears as white crystals or powder.

Comment on solubility

Solubility of 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine

The solubility of 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine (C7H12ClN5) can be understood by considering various factors including its chemical structure and functional groups.

Key Considerations:

  • Polarity: The presence of chlorine and various nitrogen atoms suggests that the compound may exhibit polar characteristics, potentially enhancing its solubility in polar solvents like water.
  • Alkyl Groups: The diethyl groups contribute to the non-polar characteristics, which could impact solubility in non-polar solvents.
  • Hydrogen Bonding: The amino functional groups (-NH2) may allow for hydrogen bond formation with solvents, further influencing solubility.

It is important to note that the solubility of this compound may vary significantly with changes in temperature and pH. Consequently, experimental determinations are essential to accurately assess solubility under different conditions. In practical applications, working with both polar and non-polar environments may yield differing results, allowing for versatile use depending on the solvent employed.

In summary, while the exact solubility of 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine requires empirical investigation, its chemical structure suggests a complex interaction with various solvents, making it an intriguing subject for solubility studies.

Interesting facts

Interesting Facts about 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine

This compound, 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine, belongs to a class of chemicals known as triazines, which are characterized by their six-membered aromatic rings containing three nitrogen atoms. Here are some intriguing aspects of this chemical:

  • Pesticide Potential: Due to its nitrogen-rich structure, compounds like this triazine derivative have been studied for their applications in agricultural pesticides. Their ability to inhibit specific enzymes can be beneficial in controlling plant pathogens.
  • Structural Versatility: The presence of multiple ethyl groups and a chlorine substituent contribute to the compound's structural versatility. This allows for modifications that can enhance its activity or reduce toxicity.
  • Research Interest: Scientists are drawn to triazines for their potential use in medicinal chemistry. The unique arrangement of nitrogen atoms can create a variety of pharmacological properties, making them ideal candidates for drug development.
  • Synthetic Routes: The synthesis of triazines, including this compound, typically involves condensation reactions and can be achieved using various reagents. Understanding these mechanisms is crucial for chemists aiming to produce these compounds efficiently.
  • Environmental Impact: With increasing awareness of chemical runoff and its effects on ecosystems, there is ongoing research concerning the environmental impact of triazine derivatives in agricultural use, making it essential to balance efficacy and safety.
  • Analytical Techniques: Researchers often utilize advanced analytical techniques, such as NMR and mass spectrometry, to characterize and study the properties of these compounds thoroughly.

Overall, 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine represents a fascinating example of how seemingly simple organic compounds can have complex applications and implications in both science and industry.

Synonyms
simazine
122-34-9
Gesatop
Princep
Simanex
Amizine
Herbazin 50
Aquazine
Batazina
Herbazin
Symazine
Tafazine
Taphazine
Bitemol
Gesapun
Gesaran
Herbex
Herboxy
Printop
Radocon
Radokor
Simadex
Zeapur
Primatol S
Aktinit S
Hungazin DT
Premazine
Simazin
Simazine 80W
Gesatop 50
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
Tafazine 50-W
Cekuzina-S
Primatel S
CAT (herbicide)
Yrodazin
Azotop
2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
Simatsin-neste
6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
Herbatoxol S
Triazine A 384
Geigy 27,692
2,4-Bis(ethylamino)-6-chloro-s-triazine
2-Chloro-4,6-bis(ethylamino)-s-triazine
6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
Herbazin-50
Bitemol S 50
Framed
Caswell No. 740
A 2079
2,4-Bis(ethylamino)-6-chloro-1,3,5-triazine
Bitemol S-50
Simazine [ANSI:BSI:ISO]
cekuzinas
permazine
s-Triazine, 2-chloro-4,6-bis(ethylamino)-
CCRIS 1469
Simatox
H 1803
W 6658
HSDB 1765
G 27692
UNII-SG0C34SMY3
EINECS 204-535-2
SG0C34SMY3
NSC 25999
Simazine 50
EPA Pesticide Chemical Code 080807
Triazine A384
BRN 0010895
G-27692
DTXSID4021268
CHEBI:27496
AI3-51142
SIMAZINE [HSDB]
SIMAZINE [IARC]
SIMAZINE [ISO]
SIMAZINE [MI]
NSC-25999
1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine
6-Chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin [German]
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
DTXCID501268
2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin
2-Chloro-4,6-di(ethylamino)triazine
4,6-Bis(ethylamino)-2-chlorotriazine
NCGC00094524-01
6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine
Cekusima
SIMAZINE (IARC)
s-Triazine, 2,4-bis(ethylamino)-6-chloro-
1-Chloro-3,5-Bisethylamino-2,4,6-Triazine
Batazine FLO
2,4-Di(ethylamino)-6-chloro-1,3,5-triazine
Simazine (ANSI:BSI:ISO)
Herbex (pesticide)
Tafazine (VAN)
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
Gesatop D
6-CHLORO-N(SUP 2),N(SUP 4)-DIETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
Batazina FLO
Herbazin50
CAT (pesticide)
CAS-122-34-9
6-Chloro-N,N'-diethyl-(1,3,5)triazin-2,4-diamine
imazine
Herboxydiene
Simatsinneste
Printrex
Simazat
Cekusan Gesatop
Simazin solution
Princep 4G
Princep 4L
Aquazine 90WDG
Caliber 90
Gesatop-50
Princep 80W
Simazine 100 microg/mL in Acetone
MFCD00023174
Sim-Trol 4L
Simazine (Standard)
Princep Caliber 90
Caswell No 740
Simazine 10 microg/mL in Acetonitrile
Simazine 10 microg/mL in Ethyl acetate
Simazine 100 microg/mL in Acetonitrile
CAT(HERBICIDE)
Spectrum_001809
SpecPlus_000400
Enamine_005673
TAFAZINE 50W
Spectrum2_001879
Spectrum3_000820
Spectrum4_000660
Spectrum5_001950
SIMAZIN S 50
Oprea1_871264
SCHEMBL37774
1-Chloro-3,4,6-triazine
BSPBio_002319
KBioGR_001039
KBioSS_002302
Simazine, analytical standard
SPECTRUM330028
BIDD:ER0337
DivK1c_006496
SPBio_001758
s-Triazine,6-bis(ethylamino)-
CHEMBL1605837
HY-B2046R
KBio1_001440
KBio2_002300
KBio2_004868
KBio2_007436
KBio3_001819
[6-chloro-4-(ethylamino)(1,3,5-triazin-2-yl)]ethylamine
2,4Bis(ethylamino)6chlorostriazine
2Chloro4,6bis(ethylamino)striazine
EPA Pesticide Code No 080807
HY-B2046
MSK22147
NSC25999
Tox21_111291
Tox21_202378
Tox21_300748
CCG-39417
STK386441
2-Chloro-4,6-bis(ethylamino)triazine
AKOS003629500
Tox21_111291_1
USEPA/OPP Pesticide Code: 80807
FS27831
KS-5070
WLN: T6N CN ENJ BM2 DM2 FG
IDI1_007908
2,4Bis(aethylamino)6chlor1,3,5triazin
NCGC00094524-02
NCGC00094524-03
NCGC00094524-04
NCGC00094524-05
NCGC00094524-06
NCGC00094524-07
NCGC00094524-09
NCGC00254653-01
NCGC00259927-01
1Chloro3,5bis(ethylamino)2,4,6triazine
2Chloro4,6bis(ethylamino)1,3,5triazine
AC-12676
AI351142
DB-041663
6-Chloro-N,N'-diethyl-2,4-diaminetriazine
6ChloroN,N'diethyl1,3,5triazine2,4diamine
CS-0014141
I1146
NS00000244
Simazine, PESTANAL(R), analytical standard
6ChloroN2,N4diethyl1,3,5triazine2,4diamine
1-Chloro, 3,5-bisethylamino-2,4,6-triazine
2-chloro-4,6-bis-ethylamino-1,3,5-triazine
H10514
Chloro-4,6-bis( ethylamino)-s-triazine
Q416160
1-CHLORO,3,5-BISETHYLAMINO-2,4,6-TRIAZINE
1,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
2,4-Diamine-6-chloro-N,N'-diethyl-1,3,5-triazine
BRD-K01416914-001-02-3
N,N'-diethyl-6-chloro-[1,3,5]triazine-2,4-diamine
6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diyldiamine
204-535-2