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Benzo[a]pyrene-[d12]

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General Information
Catalog: BLP-011036
CAS: 63466-71-7
Molecular Formula: C20D12
Molecular Weight: 264.38

Chemical Structure

Synonyms	3,4-Benzopyrene-d12; Deuterated benzo[a]pyrene
IUPAC Name	1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]pyrene
Related CAS	50-32-8 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C3=C4C(=C(C2=C1[2H])[2H])C(=C(C5=C4C(=C(C(=C5[2H])[2H])[2H])C(=C3[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
InChI	InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key	FMMWHPNWAFZXNH-AQZSQYOVSA-N
Boiling Point	495°C (lit.)
Melting Point	177-180°C (lit.)
Purity	99% by CP; 98% atom D