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1,2-Dibromobenzene

CAT: 0572-TRC-D424290-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D424290-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
583-53-9
Hazard Statement
Causes skin irritation; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
Brc1ccccc1Br
Molecular Formula
C6 H4 Br2
Molecular Weight
235.9
InChI
InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
Additionnal Information
IUPAC name: 1,2-dibromobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Dibromobenzene

1,2-dibromobenzene is a dibromobenzene.

CAS Number583-53-9
PubChem CID11414
IUPAC Name1,2-dibromobenzene
Molecular FormulaC6H4Br2
Molecular Weight235.90
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
C1=CC=C(C(=C1)Br)Br
InChI
InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
WQONPSCCEXUXTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dibromobenzene
CAS: 583-53-9
CID: 11414
Formula: C6H4Br2
MW: 235.90
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.90
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass235.86593
Monoisotopic Mass233.86798
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.9
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