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3-Iodobenzyl Bromide

CAT: 0572-TRC-I693815-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-I693815-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
49617-83-6
Synonyms
α-Bromo-m-iodotoluene; m-Iodobenzylbromide; 1-(Bromomethyl)-3-iodobenzene;
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Purity
>95% (HPLC)
Smiles
BrCc1cccc(I)c1
Molecular Formula
C7 H6 Br I
Molecular Weight
296.93
InChI
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
Additionnal Information
IUPAC name: 1-(bromomethyl)-3-iodo-benzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Iodobenzyl bromide
CAS Number49617-83-6
PubChem CID2759361
IUPAC Name1-(bromomethyl)-3-iodobenzene
Molecular FormulaC7H6BrI
Molecular Weight296.93
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
C1=CC(=CC(=C1)I)CBr
InChI
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
BACZSVQZBSCWIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Iodobenzyl bromide
CAS: 49617-83-6
CID: 2759361
Formula: C7H6BrI
MW: 296.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.93
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass295.86976
Monoisotopic Mass295.86976
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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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Alternative Products

CatalogName
B3030-013-Iodobenzyl bromide
FI57978-014-Iodobenzyl bromide
559654892-Iodobenzyl bromide
OR400078-014-Bromo-3-iodobenzyl bromide
MPA52952-013-Bromo-4-iodobenzyl bromide
PC32737-013-Fluoro-2-iodobenzyl bromide
PC49377-014-Fluoro-3-iodobenzyl bromide
XQB93183-013-Fluoro-4-iodobenzyl bromide
OR400517-012-Bromo-3-iodobenzyl bromide
OR4009673-Chloro-2-iodobenzyl bromide

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