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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene - ≥99% , CAS No.83-66-9
Synonyms
Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro- | Musk ambrette (VAN) | 6-tert-Butyl-3-methyl-2,4-dinitroanisol | Anisole, 6-tert-butyl-3-methyl-2,4-dinitro- | NSC 46122 | Benzene,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro- | Musk ambr
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Why this grade ≥99% 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
Benzene, 1-(1, 1-dimethylethyl)-2-methoxy-4-methyl-3, 5-dinitro- | Musk ambrette (VAN) | 6-tert-Butyl-3-methyl-2, 4-dinitroanisol | Anisole, 6-tert-butyl-3-methyl-2, 4-dinitro- | NSC 46122 | Benzene, 1-dimethylethyl)-2-methoxy-4-methyl-3, 5-dinitro- | Musk ambr
Specifications & Purity
≥99%
Names and Identifiers Pubchem Sid 488180148 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180148 Canonical Smiles CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] IUPAC Name 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene InChIKey SUAUILGSCPYJCS-UHFFFAOYSA-N INCHI 1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3 Isomeric SMILES CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] RTECS BZ8575000 PubChem CID 6753 UN Number 2811 Packing Group I Molecular Weight 268.27 Reaxy-Rn 1889437
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 Toluenes Intermediate Tree Nodes Nitrotoluenes Direct Parent Dinitrotoluenes Alternative Parents Nitrophenyl ethers Phenylpropanes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Dinitrotoluene - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. External Descriptors C-nitro compound 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 185 °C/16 mmHg Melt Point(°C) 86 °C Molecular Weight 268.270 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 268.106 Da Monoisotopic Mass 268.106 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 355.000 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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