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Benzo[a]pyrene-[7-d]

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General Information
Catalog: BLP-012258
CAS: 68041-22-5
Molecular Formula: C20H11D
Molecular Weight: 253.32

Chemical Structure

Synonyms	Benzo[a]pyrene-7-d
IUPAC Name	7-deuteriobenzo[a]pyrene
Related CAS	50-32-8 (unlabelled)
Isomeric SMILES	[2H]C1=C2C=C3C=CC4=C5C3=C(C2=CC=C1)C=CC5=CC=C4
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/i4D
InChI Key	FMMWHPNWAFZXNH-QYKNYGDISA-N
Boiling Point	495°C at 760 mmHg
Melting Point	176-178 °C(lit.)
Purity	97% atom D
Density	1.291 g/cm3
Storage	Store at -20°C