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8,16-Pyranthrenedione, dibromo-(CAS No. 1324-35-2)

8,16-Pyranthrenedione, dibromo- C30H12Br2O2 (cas 1324-35-2) Molecular Structure

1324-35-2 Structure

Identification and Related Records

【Name】
8,16-Pyranthrenedione, dibromo-
【Iupac name】
1,2-dibromopyranthrene-8,16-dione
【CAS Registry number】
1324-35-2
【Synonyms】
Nihonthrene Orange RRTS
Palanthrene Orange RRT
Navinon Golden Orange RRT
Navinon Orange RRT
Paradone Orange RRT
Pernithrene Orange RRTS
Ponsol Golden Orange RRT
Solanthrene Orange 2R
Tinon Golden Orange 2R
TyrianOrange I-RRT
Vat Orange RRT
Amanthrene Orange RRT
Atic Vat Orange 2RT
Benzadone Orange 2RT
C.I. 59705
Calcoloid Golden Orange RRTP
CaledonPrinting Orange RRT
Carbanthrene Golden Orange RRT
Carbanthrene PrintingGolden Orange RRT
Cibanone Golden Orange 2R
Dibromopyranthrone
Endurol Orange RRT
Fenanthren Golden Orange 2RT
Indanthren Orange RRT
Indanthrene Orange RRTS
Mikethrene Orange RRTS
【EINECS(EC#)】
215-374-2
【Molecular Formula】
C30H12Br2O2 (Products with the same molecular formula)
【Molecular Weight】
564.23
【Inchi】
InChI=1/C30H12Br2O2/c31-22-10-9-16-21-12-14-5-7-18-25-20(15-3-1-2-4-17(15)29(18)33)11-13-6-8-19(26(21)24(13)23(14)25)30(34)27(16)28(22)32/h1-12H
【Canonical SMILES】
C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=C7C=CC(=C8Br)Br
【MOL File】
1324-35-2.mol

Chemical and Physical Properties

【Density】
1.849 g/cm3
【Boiling Point】
789.3 °C at 760 mmHg
【Vapour】
6.84E-25mmHg at 25°C
【Refractive Index】
1.911
【Flash Point】
220.1 °C
【Computed Properties】
Molecular Weight:564.22308 [g/mol]
Molecular Formula:C30H12Br2O2
XLogP3-AA:8.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:563.918358
MonoIsotopic Mass:561.920405
Topological Polar Surface Area:34.1
Heavy Atom Count:34
Formal Charge:0
Complexity:902
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:8
Effective Rotor Count:0
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Specification】

?8,16-Pyranthrenedione, dibromo- , its cas register number is 1324-35-2. It also can be called?EINECS 215-374-2?; 8,16-Pyranthrenedione, dibromo- ; Dibromopyranthrene-8,16-dione .

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