Skip to the beginning of the images gallery

3-Bromo-1H-isoindoline - ≥96%, high purity , CAS No.127168-81-4

COA

Grade & Purity:

≥96%

Cas Number: 127168-81-4
Molecular Weight: 198.07
PubChem CID: 14795870

In stock

Item Number

B728090

Grouped product items
SKU	Size	Availability	Price	Qty
B728090-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,365.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoindoles
Alternative Parents	Isoindolines Aralkylamines Benzenoids Aryl bromides Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindoline - Isoindole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-bromo-2,3-dihydro-1H-isoindole
INCHI	InChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKey	AMXFGLZWKBYNGE-UHFFFAOYSA-N
Smiles	C1C2=C(CN1)C(=CC=C2)Br
Isomeric SMILES	C1C2=C(CN1)C(=CC=C2)Br
PubChem CID	14795870
Molecular Weight	198.07

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.060 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	196.984 Da
Monoisotopic Mass	196.984 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration