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Benzo[b]fluoranthene-[d12]

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General Information
Catalog: BLP-011037
CAS: 93951-98-5
Molecular Formula: C20D12
Molecular Weight: 264.38

Chemical Structure

Synonyms	Benz[e]acephenanthrylene-d12
IUPAC Name	1,2,3,6,7,11,12,13,17,18,19,20-dodecadeuteriopentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
Related CAS	205-99-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C3=C4C(=C(C(=C3[2H])[2H])[2H])C5=C(C(=C(C(=C5C4=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES	C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
InChI	InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key	FTOVXSOBNPWTSH-AQZSQYOVSA-N
Boiling Point	467.5ºC at 760 mmHg
Melting Point	163-165°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.348g/cm3