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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-(4-Bromophenyl)-2-methylpropanenitrile - ≥97% , CAS No.101184-73-0
Synonyms
2-(4-Bromophenyl)-2-methylpropanitrile | DABJLFKRJWUXMV-UHFFFAOYSA-N | 2-(4-Bromophenyl)-2-methylpropanenitrile | MFCD02684219 | AMY13387 | Z415650942 | EN300-40981 | SCHEMBL13578 | AC-5231 | 2-(4-bromo-phenyl)-2-methyl-propionitrile | 2-(4-Bromophenyl)-2
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Why this grade ≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-(4-Bromophenyl)-2-methylpropanitrile | DABJLFKRJWUXMV-UHFFFAOYSA-N | 2-(4-Bromophenyl)-2-methylpropanenitrile | MFCD02684219 | AMY13387 | Z415650942 | EN300-40981 | SCHEMBL13578 | AC-5231 | 2-(4-bromo-phenyl)-2-methyl-propionitrile | 2-(4-Bromophenyl)-2
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488196666 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488196666 Canonical Smiles CC(C)(C#N)C1=CC=C(C=C1)Br IUPAC Name 2-(4-bromophenyl)-2-methylpropanenitrile InChIKey DABJLFKRJWUXMV-UHFFFAOYSA-N INCHI 1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3 Isomeric SMILES CC(C)(C#N)C1=CC=C(C=C1)Br Molecular Weight 224.1 Reaxy-Rn 7289086 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7289086&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 Phenylpropanes Intermediate Tree Nodes Not available Direct Parent Phenylpropanes Alternative Parents Bromobenzenes Aryl bromides Nitriles Organobromides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Flash Point(°C) 135 °C Boil Point(°C) 85°C/0.075mmHg Molecular Weight 224.100 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 223 Da Monoisotopic Mass 223 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 193.000 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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