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Benzene-[1,3,5-d3]

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General Information
Catalog: BLP-011030
CAS: 1684-47-5
Molecular Formula: C6H3D3
Molecular Weight: 81.13

Chemical Structure

Synonyms	Benzene-1,3,5-d3
IUPAC Name	1,3,5-trideuteriobenzene
Related CAS	71-43-2 (unlabelled)
Isomeric SMILES	[2H]C1=CC(=CC(=C1)[2H])[2H]
Canonical SMILES	C1=CC=CC=C1
InChI	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,4D,5D
InChI Key	UHOVQNZJYSORNB-NHPOFCFZSA-N
Boiling Point	80°C (lit.)
Melting Point	5.5°C (lit.)
Purity	98% by CP; 98% atom D
Density	0.908 g/cm3 at 25°C