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· · COA & SDS available for every product · Same-day shipping on in-stock items Despropenenitrile Bromo Rilpivirine - ≥97% , CAS No.374067-85-3
Synonyms
SB58556 | DTXSID60333184 | SR-03000002820-1 | 4-[[4-[(4-Bromo-2,6-dimethylphenyl)amino]-2-pyrididinyl]amino]benzonitrile | 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE | HIV-1 inhibitor-48 | Benzonitrile, 4-[[4-[(4-bromo-2,6
Shipped In
Ice chest + Ice pads
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
SB58556 | DTXSID60333184 | SR-03000002820-1 | 4-[[4-[(4-Bromo-2, 6-dimethylphenyl)amino]-2-pyrididinyl]amino]benzonitrile | 4-[[4-[(4-BROMO-2, 6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE | HIV-1 inhibitor-48 | Benzonitrile, 4-[[4-[(4-bromo-2, 6
Specifications & Purity
≥97%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504758942 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758942 Canonical Smiles CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)Br IUPAC Name 4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile InChIKey MKODFMNTDYAPSG-UHFFFAOYSA-N INCHI 1S/C19H16BrN5/c1-12-9-15(20)10-13(2)18(12)24-17-7-8-22-19(25-17)23-16-5-3-14(11-21)4-6-16/h3-10H,1-2H3,(H2,22,23,24,25) Isomeric SMILES CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)Br Molecular Weight 394.27 Reaxy-Rn 8932536 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8932536&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 m-Xylenes Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents M-xylene - Xylene - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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 Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Slightly) Melt Point(°C) 225-227°C Molecular Weight 394.300 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 393.059 Da Monoisotopic Mass 393.059 Da Topological Polar Surface Area 73.600 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 458.000 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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