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5-Methylbenzotriazole-[d6]

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General Information
Catalog: BLP-003064
CAS: 1246820-65-4
Molecular Formula: C7HD6N3
Molecular Weight: 139.19

Chemical Structure

Description	5-Methylbenzotriazole-[d6] is an isotope form of 5-Methylbenzotriazole. 5-Methylbenzotriazole is a contaminant of emerging concern which is a potential nitrification inhibitor of urea fertilizer in agricultural soils.
Synonyms	6-Methyl-1H-benzotriazole-d6; 5-Methyl-1,2,3-benzotriazole-d6; 5-Methyl-1H-benzo[d][1,2,3]triazole-d6; 5-Tolyltriazole-d6; 6-Methyl-1,2,3-benzotriazole-d6; 6-Tolyltriazole-d6; NSC 122012-d6; TTA-d6; Tolutriazole-d6
IUPAC Name	4,5,7-trideuterio-6-(trideuteriomethyl)-1H-benzotriazole
Related CAS	136-85-6 (unlabelled)
Canonical SMILES	CC1=CC2=C(C=C1)N=NN2
InChI	InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)/i1D3,2D,3D,4D
InChI Key	LRUDIIUSNGCQKF-RLTMCGQMSA-N
Melting Point	76-79°C
Solubility	Soluble in Chloroform, Methanol (Slightly)
Appearance	Light Orange to Very Dark Brown Solid
Storage	-20°C