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4-Cyanobenzyl Bromide - >98.0%(GC), high purity , CAS No.17201-43-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 17201-43-3
Molecular Weight: 196.05
Beilstein Registry Number: 636717
MDL number: MFCD00001829
PubChem CID: 86996

In stock

Item Number

C153839

Grouped product items
SKU	Size	Availability	Price
C153839-5g	5g	3	$29.90
C153839-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$44.90
C153839-25g	25g	3	$86.90
C153839-100g	100g	2	$311.90
C153839-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID40864744 \| p-Tolunitrile, alpha-bromo- \| p-(Bromomethyl)benzonitrile \| m-Aminophenyl isopropyl ether \| p-cyanobenzylbromide \| 1H-Imidazole-5-carboxylic acid, 2-amino-, ethyl ester \| EN300-17712 \| .alpha.-Bromo-p-tolunitrile \| 1-(bromomethyl)-4-cyano
Specifications & Purity	≥98%(GC)
Storage Temp	Protected from light,Argon charged
Shipped In	Normal
Product Description	4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile. 4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. Application It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Benzonitriles Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl bromide - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
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-(bromomethyl)benzonitrile
INCHI	InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChIKey	UMLFTCYAQPPZER-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CBr)C#N
Isomeric SMILES	C1=CC(=CC=C1CBr)C#N
WGK Germany	3
UN Number	3261
Packing Group	II
Molecular Weight	196.05
Beilstein	636717
Reaxy-Rn	636717
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636717&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
G2429084	Certificate of Analysis	Jun 13, 2024	C153839
D23061400	Certificate of Analysis	Mar 22, 2023	C153839
I2315029	Certificate of Analysis	Mar 22, 2023	C153839
D23061399	Certificate of Analysis	Mar 22, 2023	C153839
D23061389	Certificate of Analysis	Mar 22, 2023	C153839
K2421004	Certificate of Analysis	Mar 22, 2023	C153839
C2218426	Certificate of Analysis	Feb 23, 2022	C153839
C2218427	Certificate of Analysis	Feb 23, 2022	C153839
C2218480	Certificate of Analysis	Feb 23, 2022	C153839

Chemical and Physical Properties

Solubility	Soluble in chloroform and methanol. Insoluble in water.
Sensitivity	Moisture & light sensitive
Boil Point(°C)	143°C/12mmHg
Melt Point(°C)	113.0 - 118.0 °C
Molecular Weight	196.040 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	139.000
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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