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2-Bromo-3-methylbenzonitrile - 97%, high purity , CAS No.263159-64-4

COA

Grade & Purity:

≥97%

Cas Number: 263159-64-4
Molecular Weight: 196.04
PubChem CID: 15469115
PubChem SID: 488198899

In stock

Item Number

B169138

Grouped product items
SKU	Size	Availability	Price
B169138-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
B169138-1g	1g	3	$45.90
B169138-5g	5g	2	$182.90
B169138-10g	10g	3	$328.90
B169138-25g	25g	2	$738.90

Discover 2-Bromo-3-methylbenzonitrile by Aladdin Scientific in 97% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AS-46447 \| cyanobromotoluene \| AKOS015834902 \| 2-Bromo-3-methylbenzonitrile, 97% \| Benzonitrile, 2-bromo-3-methyl- \| 2-Bromo-3-methylbenzonitrile \| 2-bromo-3-methyl-benzonitrile \| SCHEMBL1233144 \| SY239048 \| MFCD09025664 \| CL9663 \| DTXSID70573054 \| J-0163
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Toluenes Bromobenzenes Aryl bromides Nitriles Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Toluene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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

Pubchem Sid	488198899
IUPAC Name	2-bromo-3-methylbenzonitrile
INCHI	InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChIKey	RNHZLKDKPMISMY-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C#N)Br
Isomeric SMILES	CC1=C(C(=CC=C1)C#N)Br
WGK Germany	3
Molecular Weight	196.04
Reaxy-Rn	8478673
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478673&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H2301321	Certificate of Analysis	Jul 07, 2023	B169138
H2301318	Certificate of Analysis	Jul 07, 2023	B169138
H2301315	Certificate of Analysis	Jul 07, 2023	B169138
H2301314	Certificate of Analysis	Jul 07, 2023	B169138
H2301301	Certificate of Analysis	Jul 07, 2023	B169138
H2301300	Certificate of Analysis	Jul 07, 2023	B169138
H2301295	Certificate of Analysis	Jul 07, 2023	B169138
H2301286	Certificate of Analysis	Jul 07, 2023	B169138

Chemical and Physical Properties

Melt Point(°C)	67-71 °C
Molecular Weight	196.040 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	194.968 Da
Monoisotopic Mass	194.968 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158.000
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

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