4-Iodobenzyl bromide

CAT: 0127-OR8750-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR8750-01Size:5 g

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CAS Number

16004-15-2

Synonyms

1- (Bromomethyl) -4-iodobenzene, alpha-Bromo-4-iodotoluene

MDL Number

MFCD00209656

Purity

96%

Smiles

BrCc1ccc(I)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

4-Iodobenzyl bromide

CAS Number	16004-15-2
PubChem CID	954258
IUPAC Name	1-(bromomethyl)-4-iodobenzene
Molecular Formula	C7H6BrI
Molecular Weight	296.93
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	77

SMILES

C1=CC(=CC=C1CBr)I

InChI

InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChIKey

BQTRMYJYYNQQGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16004-15-2

CID: 954258

Formula: C7H6BrI

MW: 296.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.93
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	295.86976
Monoisotopic Mass	295.86976
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
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
Compound Is Canonicalized	Yes

Catalog	Name
PC49378-01	4-Fluoro-2-iodobenzyl bromide
OR400078-01	4-Bromo-3-iodobenzyl bromide
PC49377-01	4-Fluoro-3-iodobenzyl bromide
OR40663-01	4-Bromo-2-iodobenzyl bromide
OR400996	4-Chloro-3-iodobenzyl bromide
OR2639-01	3-Iodobenzyl bromide
OR13072-01	2-Iodobenzyl bromide
PC53420-01	2,4-Difluoro-5-iodobenzyl bromide
PC501670	4-Bromo-3-fluoro-5-iodobenzyl bromide
PC51681-01	3-Bromo-4-fluoro-5-iodobenzyl bromide

Catalog	Name
FI57978-01	4-Iodobenzyl bromide
HHA28763-01	4-Cyano-2-iodobenzyl bromide
TNA92911-01	4-Chloro-2-iodobenzyl bromide
KKB68196	4-Bromo-2-iodobenzyl bromide
MPA52952-01	3-Bromo-4-iodobenzyl bromide
LAC77607-01	2-Bromo-4-iodobenzyl bromide
XQB93183-01	3-Fluoro-4-iodobenzyl bromide
TRC-I693815-5G	3-Iodobenzyl Bromide
55965489	2-Iodobenzyl bromide
XFD67054-01	2,4-Difluoro-5-iodobenzyl bromide