JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
4-Chlorobenzonitrile - 98%, high purity , CAS No.623-03-0

Skip to the end of the images gallery

Skip to the beginning of the images gallery

4-Chlorobenzonitrile - 98%, high purity , CAS No.623-03-0

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 623-03-0
Molecular Weight: 137.57
Beilstein Registry Number: 9341
MDL number: MFCD00001813
PubChem CID: 12163
PubChem SID: 488181570

In stock

Item Number

C105375

Grouped product items
SKU	Size	Availability	Price
C105375-25g	25g	3	$16.90
C105375-100g	100g	3	$58.90
C105375-250g	250g	5	$130.90
C105375-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$132.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	4-chloranylbenzenecarbonitrile \| CAS-623-03-0 \| p-Cyanochlorobenzene \| InChI=1/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4 \| Q22927331 \| STR01164 \| Tox21_301477 \| NSC-6111 \| 1219794-82-7 \| 1-chloro-4-cyanobenzene \| FT-0653591 \| 4-chlorocyanobenzene \| NSC 6111 \| SCH
Specifications & Purity	≥98%
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	Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181570
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181570
IUPAC Name	4-chlorobenzonitrile
INCHI	InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey	GJNGXPDXRVXSEH-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C#N)Cl
Isomeric SMILES	C1=CC(=CC=C1C#N)Cl
WGK Germany	2
RTECS	DI2800000
Molecular Weight	137.57
Beilstein	9341
Reaxy-Rn	1072122
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072122&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.

12 results found

Lot Number	Certificate Type	Date	Item
D2115198	Certificate of Analysis	Jan 10, 2025	C105375
D2420072	Certificate of Analysis	Mar 25, 2024	C105375
D2420073	Certificate of Analysis	Mar 25, 2024	C105375
F23051027	Certificate of Analysis	Jun 09, 2022	C105375
G2222136	Certificate of Analysis	Jun 09, 2022	C105375
G2222135	Certificate of Analysis	Jun 09, 2022	C105375
G2222143	Certificate of Analysis	Jun 09, 2022	C105375
G2222142	Certificate of Analysis	Jun 09, 2022	C105375
G2222212	Certificate of Analysis	Jun 09, 2022	C105375
D2115201	Certificate of Analysis	Mar 04, 2021	C105375
D2115202	Certificate of Analysis	Mar 04, 2021	C105375
D2115207	Certificate of Analysis	Mar 04, 2021	C105375

Show more⌵

Chemical and Physical Properties

Solubility	Soluble in alcohol and ether. Insoluble in water.
Boil Point(°C)	223°C
Melt Point(°C)	146°C
Molecular Weight	137.560 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	137.003 Da
Monoisotopic Mass	137.003 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jisheng Zhang,Yujuan Wang,Nengchao Luo,Zhuqi Chen,Kangbing Wu,Guochuan Yin. (2015-05-06) Redox inactive metal ion triggered N-dealkylation by an iron catalyst with dioxygen activation: a lesson from lipoxygenases.. Dalton transactions (Cambridge, England : 2003), 44 ((21)): (9847-9859).
2. Jia-qi Bai, Mei Ma, Huangfei Liu, Zhangkai Qian, Durui Liu, Yuncai Zhao, Yijing Gao, Jingshuai Chen, Mengdie Cai, Song Sun. (2025) Efficient Cu–Ni/W20O58 Catalysts for Hydrogenation of Nitriles to Secondary Amines. ACS Catalysis, 15 (6): (5086-5102).

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

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.