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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Iodo-4-nitrotoluene - ≥97% , CAS No.7745-92-8
Synonyms
EINECS 231-808-3 | 2-Iodo-4-nitrotoluene | AKOS000271615 | SCHEMBL2314016 | FT-0636586 | I0706 | NSC 310164 | CL8821 | DS-12915 | T99FZN9F22 | SY029960 | DTXSID60228162 | EN300-365328 | Benzene, 2-iodo-1-methyl-4-nitro- | NSC310164 | NSC-310164 | AC-22947
Storage
Protected from light,Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Argon charged,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
EINECS 231-808-3 | 2-Iodo-4-nitrotoluene | AKOS000271615 | SCHEMBL2314016 | FT-0636586 | I0706 | NSC 310164 | CL8821 | DS-12915 | T99FZN9F22 | SY029960 | DTXSID60228162 | EN300-365328 | Benzene, 2-iodo-1-methyl-4-nitro- | NSC310164 | NSC-310164 | AC-22947
Specifications & Purity
≥97%
Storage
Protected from light, Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488186064 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186064 Canonical Smiles CC1=C(C=C(C=C1)[N+](=O)[O-])I IUPAC Name 2-iodo-1-methyl-4-nitrobenzene InChIKey BUQSRXQJUZTIEW-UHFFFAOYSA-N INCHI 1S/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 Isomeric SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])I Molecular Weight 263.036 Beilstein 1941233 Reaxy-Rn 1941233 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941233&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 Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitrotoluenes Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. 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 Solubility Soluble in Toluene Sensitivity Light Sensitive;Air sensitive Boil Point(°C) 165 °C/15 mmHg Melt Point(°C) 50.0-54.0°C Molecular Weight 263.030 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 262.944 Da Monoisotopic Mass 262.944 Da Topological Polar Surface Area 45.800 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 157.000 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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