4-Nitrobenzyl bromide

CAT: 0862-GK9069-25gSize: 25 gDry Ice: NoHazardous: Yes

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CAT#:0862-GK9069-25gSize:25 g

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CAS Number

100-11-8

EC Number

202-820-6

UN Code

3261

MDL Number

MFCD00007373

HS Code

29049095

Purity

98.50%

Molecular Formula

C7H6BrNO2

Molecular Weight

216.04

Storage Conditions

+20°C

Hazardous Class

True

Chemical Information

4-Nitrobenzyl bromide

4-nitrobenzyl bromide is a C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position. It has a role as a sensitiser and an allergen. It is a C-nitro compound and a member of benzyl bromides.

CAS Number	100-11-8
PubChem CID	66011
IUPAC Name	1-(bromomethyl)-4-nitrobenzene
Molecular Formula	C7H6BrNO2
Molecular Weight	216.03
XLogP	2.7
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC(=CC=C1CBr)[N+](=O)[O-]

InChI

InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey

VOLRSQPSJGXRNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-11-8

CID: 66011

Formula: C7H6BrNO2

MW: 216.03

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	216.03
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	214.95819
Monoisotopic Mass	214.95819
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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

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Alternative Products

Catalog	Name
FN38852-01	4-Nitrobenzyl bromide
sc-232921	(4-Nitrobenzyl) triphenylphosphonium bromide
SBA53363-01	2-Chloro-4-nitrobenzyl bromide
HDA42034-01	4-Bromo-2-nitrobenzyl bromide
425672-01	3-Fluoro-4-nitrobenzyl bromide
233440-01	4-Nitrobenzyl bromide 99.5+%
PC48320-01	4-Fluoro-2-nitrobenzyl bromide
PC49076-01	2-Fluoro-4-nitrobenzyl bromide
OR400568-01	4-Methoxy-3-nitrobenzyl bromide
sc-267318	4-bromo-3-nitrobenzyl bromide

4-Nitrobenzyl bromide

Chemical Information

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