Chemical Properties of Atrazine (CAS 1912-24-9)

InChI

InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

InChI Key

MXWJVTOOROXGIU-UHFFFAOYSA-N

Formula

C8H14ClN5

SMILES

CCNc1nc(Cl)nc(NC(C)C)n1

Molecular Weight¹

215.68

CAS

1912-24-9

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-
• 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-
• 1-Chloro-3-(ethylamino)-5-(isopropylamino)-2,4,6-triazine
• 1-Chloro-3-(ethylamino)-5-(isopropylamino)-s-triazine
• 2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin
• 2-Chloro-4-(2-propylamino)-6-(ethylamino)-s-triazine
• 2-Chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine
• 2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine
• 2-Chloro-4-ethylamineisopropylamine-s-triazine
• 2-Ethylamino-4-isopropylamino-6-chloro-s-triazine
• 2-chloro-4-(ethylamino)-6-(isopropylamino)triazine
• 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine
• 2-chloro-4-ethylamino-6-isopropylamino-s-triazine
• 6-Chloro-4-(ethylamino)-2-(isopropylamino)-s-triazine
• 6-Chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
• 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• A 361
• ATZ
• Aatram
• Aatrex
• Aatrex 4L
• Aatrex 4LC
• Aatrex 80W
• Aatrex nine-O
• Actinite PK
• Akticon
• Aktikon
• Aktikon PK
• Aktinit A
• Aktinit PK
• Argezin
• Atazinax
• Atraflow
• Atraflow plus
• Atranex
• Atrasine
• Atrataf
• Atratol
• Atratol A
• Atrazin
• Atrazine 4L
• Atrazine 80W
• Atred
• Atrex
• Attrex
• Azinotox 500
• Candex
• Cekuzina-T
• Chromozin
• Crisamina
• Crisatrina
• Crisazine
• Cyazin
• Farmco atrazine
• Farmozine
• Fenamin
• Fenamine
• Fenatrol
• Fogard
• G 30027
• Geigy 30,027
• Gesaprim
• Gesaprim 50
• Gesoprim
• Griffex
• Griffex 4l
• Herbatoxol
• Hungazin
• Hungazin PK
• Inakor
• Laddock
• Maizina
• Mebazine
• Oleogesaprim
• Pitezin
• Primatol
• Primatol A
• Primaze
• Primoleo
• Radazin
• Radazin T
• Radizin
• Radizine
• Strazine
• Triazine A 1294
• Vectal
• Vectal SC
• Weedex A
• Wonuk
• Zeaphos
• Zeapos
• Zeazin
• Zeazine
• Zeopos
• azoprim
• gesamprim
• s-Triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-

• 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).
• P_vap : Vapor pressure (kPa).
• 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	-5047.20 ± 8.90	kJ/mol	NIST
ΔfH°solid	-125.40 ± 9.50	kJ/mol	NIST
log10WS	[-3.85; -3.49]
log10WS	-3.80		Aq. Sol...
log10WS	-3.85		Estimat...
log10WS	-3.49		Rytting...
logPoct/wat	1.777		Crippen Calculated Property
McVol	161.960	ml/mol	McGowan Calculated Property
Inp	[294.98; 1762.00]
Inp	1708.00		NIST
Inp	1712.00		NIST
Inp	1729.00		NIST
Inp	1711.00		NIST
Inp	1726.00		NIST
Inp	1726.00		NIST
Inp	1724.00		NIST
Inp	1752.00		NIST
Inp	1710.00		NIST
Inp	1705.00		NIST
Inp	1748.00		NIST
Inp	1752.00		NIST
Inp	1696.00		NIST
Inp	1762.00		NIST
Inp	1700.00		NIST
Inp	1700.00		NIST
Inp	1755.00		NIST
Inp	1755.00		NIST
Inp	1755.00		NIST
Inp	1752.00		NIST
Inp	1691.00		NIST
Inp	1699.00		NIST
Inp	1699.00		NIST
Inp	1711.00		NIST
Inp	Outlier 294.98		NIST
Inp	1708.00		NIST
Inp	1726.00		NIST
I	[2722.00; 2805.00]
I	2722.00		NIST
I	2747.00		NIST
I	2722.00		NIST
I	2805.00		NIST
I	2776.00		NIST
I	2776.00		NIST
Tfus	[447.00; 450.49]	K
Tfus	447.53	K	Aq. Sol...
Tfus	447.00	K	Measure...
Tfus	450.49 ± 0.20	K	NIST
Tfus	450.20 ± 0.20	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	38.15	kJ/mol	449.70	NIST
ΔsubH	[113.80; 114.60]	kJ/mol	[339.00; 363.00]
ΔsubH	114.60	kJ/mol	339.00	NIST
ΔsubH	113.80	kJ/mol	363.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[465.69; 658.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.74621e+01
Coefficient B			-7.99802e+03
Temperature range, min.			465.69
Temperature range, max.			658.24
Pvap	1.33	kPa	465.69	Calculated Property
Pvap	2.83	kPa	487.08	Calculated Property
Pvap	5.66	kPa	508.48	Calculated Property
Pvap	10.68	kPa	529.87	Calculated Property
Pvap	19.18	kPa	551.27	Calculated Property
Pvap	32.98	kPa	572.66	Calculated Property
Pvap	54.53	kPa	594.06	Calculated Property
Pvap	87.08	kPa	615.45	Calculated Property
Pvap	134.74	kPa	636.85	Calculated Property
Pvap	202.66	kPa	658.24	Calculated Property

Similar Compounds

Find more compounds similar to Atrazine.

Mixtures

• Atrazine + Methyl Alcohol
• Atrazine + Ethanol
• 1-Propanol + Atrazine
• Atrazine + Isopropyl Alcohol
• Atrazine + 1-Butanol
• Atrazine + Ethyl Acetate

Sources

• Crippen Method
• Measurement and Correlation of Solubility of 2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine in Different Organic Solvents
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.