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3-Amino-5-bromobenzonitrile - 97%, high purity , CAS No.49674-16-0

COA

Grade & Purity:

≥97%

Cas Number: 49674-16-0
Molecular Weight: 197.03
PubChem CID: 53406961
PubChem SID: 488201610

In stock

Item Number

A184771

Grouped product items
SKU	Size	Availability	Price
A184771-250mg	250mg	3	$13.90
A184771-1g	1g	4	$31.90
A184771-5g	5g	3	$153.90
A184771-10g	10g	2	$297.90

Basic Description

Synonyms	5-AMINO-3-BROMOBENZONITRILE \| 49674-16-0 \| 3-AMINO-5-BROMOBENZONITRILE \| MFCD11109874 \| 3-Amino-5-bromo-benzonitrile \| Benzonitrile, 3-amino-5-bromo- \| SCHEMBL3509168 \| DTXSID30695746 \| HPIFDUDZTLRWBV-UHFFFAOYSA-N \| CK1043 \| AKOS006306134 \| CS-W018633 \| GS-4298 \| SY102194 \| AM200405
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
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 Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organopnictogen compound - Organic nitrogen 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	488201610
IUPAC Name	3-amino-5-bromobenzonitrile
INCHI	InChI=1S/C7H5BrN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
InChIKey	HPIFDUDZTLRWBV-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1N)Br)C#N
Isomeric SMILES	C1=C(C=C(C=C1N)Br)C#N
Molecular Weight	197.03
Reaxy-Rn	2716575
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716575&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
F2328238	Certificate of Analysis	Jun 05, 2023	A184771
F2328232	Certificate of Analysis	Jun 05, 2023	A184771
F2328240	Certificate of Analysis	Jun 05, 2023	A184771
F2328247	Certificate of Analysis	Jun 05, 2023	A184771
F2328245	Certificate of Analysis	Jun 05, 2023	A184771
F2328236	Certificate of Analysis	Jun 05, 2023	A184771
F2328246	Certificate of Analysis	Jun 05, 2023	A184771

Chemical and Physical Properties

Molecular Weight	197.030 g/mol
XLogP3	1.700
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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