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2-Amino-6-bromobenzonitrile - 95%, high purity , CAS No.77326-62-6

COA

Grade & Purity:

≥95%

Cas Number: 77326-62-6
Molecular Weight: 197.02
MDL number: MFCD09834769
PubChem CID: 9813038
PubChem SID: 488196318

In stock

Item Number

A135298

Grouped product items
SKU	Size	Availability	Price
A135298-250mg	250mg	8	$9.90
A135298-1g	1g	3	$17.90
A135298-5g	5g	4	$35.90
A135298-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
A135298-25g	25g	3	$141.90
A135298-100g	100g	2	$510.90

Basic Description

Synonyms	AM61672 \| EN300-103507 \| A26616 \| SY004370 \| ZKZYTSGUONPOPF-UHFFFAOYSA-N \| Benzonitrile, 2-amino-6-bromo- \| FT-0684420 \| PS-3957 \| CL8148 \| DTXSID30431045 \| AKOS005259163 \| MFCD09834769 \| SCHEMBL619229 \| 2-amino-6-bromobenzonitrile \| 2-amino-6-bromo-benzo
Specifications & Purity	≥95%
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	Aniline and substituted anilines Bromobenzenes Aryl bromides Nitriles Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - 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	488196318
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196318
IUPAC Name	2-amino-6-bromobenzonitrile
INCHI	InChI=1S/C7H5BrN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey	ZKZYTSGUONPOPF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Br)C#N)N
Isomeric SMILES	C1=CC(=C(C(=C1)Br)C#N)N
Molecular Weight	197.02
Reaxy-Rn	3539294
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3539294&ln=

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

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

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
C23031415	Certificate of Analysis	Dec 06, 2024	A135298
B2304174	Certificate of Analysis	Nov 20, 2024	A135298
B2304316	Certificate of Analysis	Nov 20, 2024	A135298
B2304311	Certificate of Analysis	Nov 20, 2024	A135298
B2304248	Certificate of Analysis	Nov 20, 2024	A135298
B2304431	Certificate of Analysis	Nov 13, 2024	A135298
B2304173	Certificate of Analysis	Nov 13, 2024	A135298
J2120355	Certificate of Analysis	Aug 04, 2023	A135298
J2120434	Certificate of Analysis	Aug 04, 2023	A135298
C23031407	Certificate of Analysis	Mar 11, 2023	A135298
A1516061	Certificate of Analysis	Sep 09, 2022	A135298

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Chemical and Physical Properties

Molecular Weight	197.030 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	195.964 Da
Monoisotopic Mass	195.964 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	160.000
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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