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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Chlorobenzonitrile - ≥98% , CAS No.623-03-0
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
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 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%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181570
Canonical Smiles
C1=CC(=CC=C1C#N)Cl
IUPAC Name
4-chlorobenzonitrile
InChIKey
GJNGXPDXRVXSEH-UHFFFAOYSA-N
INCHI
1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
Isomeric SMILES
C1=CC(=CC=C1C#N)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072122&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Data sources 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) 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 Ų 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
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