4-Bromotoluene (Methyl-d3)

CAT: 1459-CS-T-94287Size: 1 EachDry Ice: NoHazardous: No

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Description

4-Bromotoluene (Methyl-d3) is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Benzene. The product is supplied by Clearsynth under CAT No. CS-T-94287. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.

Overview

4-Bromotoluene (Methyl D3) is used as a reagent in the preparation of aromatic diselenides that are useful for generating anticancer lead compounds.

CAS Number

22328-44-5

Synonyms

4-Bromotoluene (Methyl-d3)

Molecular Formula

C 7 H 4 D 3 Br

Molecular Weight

174.05

Additionnal Information

4-Bromotoluene (Methyl-d3) is supplied with detailed characterization data compliant with regulatory guideline. 4-Bromotoluene (Methyl-d3) can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Benzene.

Storage Conditions

Refer MSDS for complete information.

Applications Notes

4-Bromotoluene (Methyl D3) is used as a reagent in the preparation of aromatic diselenides that are useful for generating anticancer lead compounds.

HSN Code

38229010

Hazard Compound

Refer MSDS for complete information.

Chemical Information

4-Bromotoluene (Methyl D3)

CAS Number	22328-44-5
PubChem CID	11332751
IUPAC Name	1-bromo-4-(trideuteriomethyl)benzene
Molecular Formula	C7H7Br
Molecular Weight	174.05
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	62

SMILES

[2H]C([2H])([2H])C1=CC=C(C=C1)Br

InChI

InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3/i1D3

InChIKey

ZBTMRBYMKUEVEU-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 22328-44-5

CID: 11332751

Formula: C7H7Br

MW: 174.05

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	174.05
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	172.99194
Monoisotopic Mass	172.99194
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.8
Isotope Atom Count	3
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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4-Bromotoluene (Methyl-d3)

Chemical Information

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