Chemical Properties of Simazine (CAS 122-34-9)

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)

InChI Key

ODCWYMIRDDJXKW-UHFFFAOYSA-N

Formula

C7H12ClN5

SMILES

CCNc1nc(Cl)nc(NCC)n1

Molecular Weight¹

201.66

CAS

122-34-9

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
• 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
• 1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine
• 2,4-Bis(ethylamino)-6-chloro-1,3,5-triazine
• 2,4-Bis(ethylamino)-6-chloro-s-triazine
• 2,4-Di(ethylamino)-6-chloro-1,3,5-triazine
• 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
• 2-Chloro-4,6-bis(ethylamino)-s-triazine
• 2-Chloro-4,6-di(ethylamino)triazine
• 4,6-Bis(ethylamino)-2-chlorotriazine
• 6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
• 6-Chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
• A 2079
• Aktinit S
• Amizine
• Aquazine
• Azotop
• Batazina
• Bitemol
• Bitemol S-50
• CAT
• CAT (herbicide)
• CDT
• CET
• Cekusan
• Cekuzina-S
• Framed
• G 27692
• Geigy 27,692
• Gesapun
• Gesaran
• Gesatop
• Gesatop 50
• H 1803
• Herbatoxol S
• Herbazin
• Herbazin 50
• Herbex
• Herboxy
• Hungazin DT
• Premazine
• Primatel S
• Primatol S
• Princep
• Printop
• Radocon
• Radokor
• S-Triazine, 2-chloro-4,6-bis(ethylamino)-
• Simadex
• Simanex
• Simatox
• Simatsin-neste
• Simazin
• Simazine 50
• Simazine 80W
• Symazine
• Tafazine
• Tafazine 50-W
• Taphazine
• Triazine A384
• W 6658
• Yrodazin
• Zeapur
• s-Triazine, 2,4-bis(ethylamino)-6-chloro-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4403.70 ± 3.50	kJ/mol	NIST
ΔfH°solid	-89.60 ± 4.10	kJ/mol	NIST
log10WS	[-4.55; -4.55]
log10WS	-4.55		Aq. Sol...
log10WS	-4.55		Estimat...
logPoct/wat	1.389		Crippen Calculated Property
McVol	147.870	ml/mol	McGowan Calculated Property
Inp	[293.57; 1755.00]
Inp	1690.00		NIST
Inp	1704.00		NIST
Inp	1720.00		NIST
Inp	1722.00		NIST
Inp	1723.00		NIST
Inp	1723.00		NIST
Inp	1711.00		NIST
Inp	1751.00		NIST
Inp	1745.00		NIST
Inp	1748.00		NIST
Inp	1690.00		NIST
Inp	1743.00		NIST
Inp	1748.00		NIST
Inp	1714.00		NIST
Inp	1741.00		NIST
Inp	1755.00		NIST
Inp	1749.00		NIST
Inp	1749.00		NIST
Inp	1744.00		NIST
Inp	1748.00		NIST
Inp	1745.00		NIST
Inp	1690.00		NIST
Inp	Outlier 293.57		NIST
I	[2806.00; 2872.00]
I	2806.00		NIST
I	2834.00		NIST
I	2806.00		NIST
I	2872.00		NIST
I	2806.00		NIST
I	2872.00		NIST
Tfus	[502.93; 503.80]	K
Tfus	502.93 ± 0.20	K	NIST
Tfus	503.80 ± 0.20	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Simazine.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.