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· · COA & SDS available for every product · Same-day shipping on in-stock items Dibromonitromethane - ≥90% , CAS No.598-91-4
Synonyms
NCGC00258453-01 | Nitrodibromomethane | bis(bromanyl)-nitro-methane | A830396 | FT-0666512
Shipped In
Ice chest + Ice pads
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Why this grade ≥90% 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
NCGC00258453-01 | Nitrodibromomethane | bis(bromanyl)-nitro-methane | A830396 | FT-0666512
Specifications & Purity
≥90%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C([N+](=O)[O-])(Br)Br IUPAC Name dibromo(nitro)methane InChIKey GQEVYCCMYUNRHJ-UHFFFAOYSA-N INCHI 1S/CHBr2NO2/c2-1(3)4(5)6/h1H Isomeric SMILES C([N+](=O)[O-])(Br)Br Molecular Weight 218.83 Reaxy-Rn 1746983 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746983&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 Organic 1,3-dipolar compounds Class Allyl-type 1,3-dipolar organic compounds Subclass Organic nitro compounds Intermediate Tree Nodes Not available Direct Parent C-nitro compounds Alternative Parents Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Molecular Framework Aliphatic acyclic compounds Substituents C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index n20D1.58 (Predicted) Boil Point(°C) ~152.7° C at 760 mmHg (Predicted) Molecular Weight 218.830 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 218.835 Da Monoisotopic Mass 216.837 Da Topological Polar Surface Area 45.800 Ų Heavy Atom Count 6 Formal Charge 0 Complexity 57.100 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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