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39324-65-7

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Basic Information
CAS No.: 39324-65-7
Name: HERBIFERT
Molecular Structure:
Molecular Structure of 39324-65-7 (HERBIFERT )
Formula: C9H17N5S•C8H14ClN5
Molecular Weight: 443.09
Density: g/cm3
Boiling Point: 396.4°Cat760mmHg
Flash Point: 193.5°C
Hazard Symbols: Moderately toxic by ingestion. Low toxicity by skin contact. SOx, and Cl−.
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx. SOx, and Cl−.
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Chemistry

Molecule structure of Herbifert (CAS NO.39324-65-7) :

IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine; 4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine 
Molecular Weight: 443.01304 g/mol
Molecular Formula: C17H31ClN10S 
Boiling Point: 396.4 °C at 760 mmHg
Flash Point: 193.5 °C
Enthalpy of Vaporization: 64.66 kJ/mol
Vapour Pressure: 1.72E-06 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 10
Rotatable Bond Count: 9
Tautomer Count: 81
Exact Mass: 442.214239
MonoIsotopic Mass: 442.214239
Topological Polar Surface Area: 126
Heavy Atom Count: 29
Complexity: 344
Canonical SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)C.CCNC1=NC(=NC(=N1)Cl)NC(C)C
InChI: InChI=1S/C9H17N5S.C8H14ClN5/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4;1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h6H,5H2,1-4H3,(H2,10,11,12,13,14);5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKey of Herbifert (CAS NO.39324-65-7) : BNAOBZBMFGERTM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1300 mg/kg

     KHZDAN    Khigiena i Zdraveopazvane. 20 (1977),132.
2.    

skn-rat LD :>4 g/kg

     KHZDAN    Khigiena i Zdraveopazvane. 20 (1977),132.

Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx. SOx, and Cl−.

Specification

 Herbifert (CAS NO.39324-65-7) is also called Ametryn-atrazine mixt. ; Ametryne-atrazine mixt. ; Amezin ; Amezin S 47 ; Atrazine-ametryne mixt. ; Atromet ; Atromet T ; Gesapax Combi ; Gesaprim 1802 ; Gesaprim forte ; Tsemerin ; Zemerin ; 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-, mixt. withN-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine ; 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine .