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4,4'-Dibromobenzophenone

CAT: 0572-TRC-D425155-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425155-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3988-03-2
Synonyms
Methanone, bis(4-bromophenyl)-; Benzophenone, 4,4'-dibromo- (6CI,7CI,8CI); Bis(4-bromophenyl)methanone; 4,4'-Dibromobenzophenone; Bis(4-bromophenyl) ketone; Bis(p-bromophenyl) ketone; NSC 86518; p,p'-Dibromobenzophenone
Hazard Statement
Causes skin irritation
Smiles
Brc1ccc(cc1)C(=O)c2ccc(Br)cc2
Molecular Formula
C13 H8 Br2 O
Molecular Weight
340.01
InChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
Additionnal Information
IUPAC name: bis(4-bromophenyl)methanone
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4,4'-Dibromobenzophenone
CAS Number3988-03-2
PubChem CID72868
IUPAC Namebis(4-bromophenyl)methanone
Molecular FormulaC13H8Br2O
Molecular Weight340.01
XLogP5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dibromobenzophenone
CAS: 3988-03-2
CID: 72868
Formula: C13H8Br2O
MW: 340.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.01
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass339.89214
Monoisotopic Mass337.89419
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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