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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzonitrile - anhydrous, ≥99% , CAS No.100-47-0
GRADE & PURITY Anhydrous Grade ? Anhydrous grade — water removed and packaged dry for moisture-sensitive chemistry. Use in reactions where even trace water would interfere or quench. ≥99% Synonyms
9V9APP5H5S | AI3-24184 | AM10697 | MFCD00001770 | UN2224 | C09814 | Benzonitrile, for HPLC, 99.9% | J-000140 | NCGC00091747-01 | SCHEMBL6640 | Tox21_201982 | CAS-100-47-0 | benzonitrile solvent | EC 202-855-7 | Benzene, cyano- | Benzoic acid nitrile | BEN
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Why this grade anhydrous, ≥99% Anhydrous Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships FedEx DG Service 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 22 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
9V9APP5H5S | AI3-24184 | AM10697 | MFCD00001770 | UN2224 | C09814 | Benzonitrile, for HPLC, 99.9% | J-000140 | NCGC00091747-01 | SCHEMBL6640 | Tox21_201982 | CAS-100-47-0 | benzonitrile solvent | EC 202-855-7 | Benzene, cyano- | Benzoic acid nitrile | BEN
Specifications & Purity
anhydrous, ≥99%
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751371
Canonical Smiles
C1=CC=C(C=C1)C#N
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
INCHI
1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
Isomeric SMILES
C1=CC=C(C=C1)C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506893&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Download SDS → =======
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✅ 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 Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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 nitrile - benzenes 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(Human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.5289 Flash Point(°F) 158 °F Flash Point(°C) 71℃ Boil Point(°C) 190.7°C Melt Point(°C) -12.75°C Molecular Weight 103.120 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 103.042 Da Monoisotopic Mass 103.042 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 103.000 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
Documents & Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Anhydrous Grade grade guide →
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