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Simazine-[d10]

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General Information
Catalog: BLP-012584
CAS: 220621-39-6
Molecular Formula: C7H2D10ClN5
Molecular Weight: 211.72

Chemical Structure

Description	Simazine-[d10] is the labelled analogue of Simazine. Simazine is an herbicide used for control of broad-leaved weeds and annual grasses.
Synonyms	Simazine D10; 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine-d10; 2-Chloro-4,6-bis(ethylamino)-s-triazine-d10
IUPAC Name	6-chloro-2-N,4-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
Related CAS	122-34-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC([2H])([2H])C([2H])([2H])[2H]
Canonical SMILES	CCNC1=NC(=NC(=N1)Cl)NCC
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)/i1D3,2D3,3D2,4D2
InChI Key	ODCWYMIRDDJXKW-MWUKXHIBSA-N
Boiling Point	365.8±25.0 °C at 760 mmHg
Melting Point	222-225°C
Purity	95% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere