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  • 9H-Fluoren-9-one,2-bromo
Name:9H-Fluoren-9-one,2-bromo
CAS No:3096-56-8

PRODUCT DESCRIPTION

【Name】
9H-Fluoren-9-one,2-bromo-
【CAS Registry number】
3096-56-8
【Synonyms】
Fluoren-9-one,2-bromo- (6CI,7CI,8CI)
2-Bromo-9H-fluoren-9-one
2-Bromofluorenone
【Molecular Formula】
C13H7BrO (Products with the same molecular formula)
【Molecular Weight】
259.1
【Inchi】
InChI=1/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
【Canonical SMILES】
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
【MOL File】
3096-56-8.mol

Chemical and Physical Properties

【Appearance】
yellow needle-like crystal
【Density】
1.609 g/cm3
【Melting Point】
143-149℃
【Boiling Point】
392.8 °C at 760 mmHg
【Refractive Index】
1.691
【Flash Point】
131.3 °C
【Computed Properties】
Molecular Weight:259.09808 [g/mol]
Molecular Formula:C13H7BrO
XLogP3:4.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:257.968027
MonoIsotopic Mass:257.968027
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Formal Charge:0
Complexity:276
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:1
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

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Hazard Note】
Irritant

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