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9,10-Anthracenedione,2-bromo-(CAS No. 572-83-8)

9,10-Anthracenedione,2-bromo- C14H7BrO2 (cas 572-83-8) Molecular Structure

572-83-8 Structure

Identification and Related Records

【Name】
9,10-Anthracenedione,2-bromo-
【Iupac name】
2-bromoanthracene-9,10-dione
【CAS Registry number】
572-83-8
【Synonyms】
Anthraquinone,2-bromo- (6CI,7CI,8CI)
2-Bromo-9,10-anthraquinone
NSC4633
b-Bromoanthraquinone
【Molecular Formula】
C14H7BrO2 (Products with the same molecular formula)
【Molecular Weight】
287.11
【Inchi】
InChI=1/C14H7BrO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
【Canonical SMILES】
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Br
【MOL File】
572-83-8.mol

Chemical and Physical Properties

【Appearance】
Light yellow or white crystal powder
【Density】
1.638 g/cm3
【Melting Point】
208 °C
【Boiling Point】
443.4 °C at 760 mmHg
【Refractive Index】
1.681
【Flash Point】
443.4 °C at 760 mmHg
【Computed Properties】
Molecular Weight:287.10818 [g/mol]
Molecular Formula:C14H7BrO2
XLogP3:4.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:285.962942
MonoIsotopic Mass:285.962942
Topological Polar Surface Area:34.1
Heavy Atom Count:17
Formal Charge:0
Complexity:352
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:1
Feature 3D Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Safety】

RTECS: CB5950000

【Specification】

 2-Bromoanthraquinone , its cas register number is 572-83-8. It also can be called 2-Bromo-9,10-anthraquinone ; beta.-Bromoanthraquinone .

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