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3,4-Dichloroaniline-[13C6]

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General Information
Catalog: BLP-010448
CAS: 89059-40-5
Molecular Formula: [13C]6H5Cl2N
Molecular Weight: 167.97

Chemical Structure

Synonyms	3,4-Dichloroaniline-13C6; 3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine; 3,4-Dichlorobenzenamine-1,2,3,4,5,6-13C6; 3,4-Dichlorophenylamine-13C6; 4,5-Dichloroaniline-13C6; 4-Amino-1,2-dichlorobenzene-13C6; DCA-13C6; NSC 247-13C6; m,p-Dichloroaniline-13C6
IUPAC Name	3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
Related CAS	95-76-1 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1N)Cl)Cl
Canonical SMILES	C1=CC(=C(C=C1N)Cl)Cl
InChI	InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	SDYWXFYBZPNOFX-IDEBNGHGSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Application	An intermediate in the synthesis of (13C6)N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide
Storage	Store at 2-8°C