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· · COA & SDS available for every product · Same-day shipping on in-stock items o-Nitrotoluene - analytical standard , CAS No.88-72-2
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Synonyms
2-Nitrotoluene|1-Methyl-2-nitrobenzene|88-72-2|O-NITROTOLUENE|NITROTOLUENE|o-Nitrotoluol|o-Methylnitrobenzene|Toluene, o-nitro-|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-Nitrotoluol|ortho-Nitrotoluol|Benzene, 1-methyl-2-nitro-|1-methyl-2-nitro-benzen
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Why this grade analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships FedEx DG Service 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 51 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-Nitrotoluene | 1-Methyl-2-nitrobenzene | 88-72-2 | O-NITROTOLUENE | NITROTOLUENE | o-Nitrotoluol | o-Methylnitrobenzene | Toluene, o-nitro- | 2-Methyl-1-nitrobenzene | 2-Methylnitrobenzene | 2-Nitrotoluol | ortho-Nitrotoluol | Benzene, 1-methyl-2-nitro- | 1-methyl-2-nitro-benzen
Specifications & Purity
analytical standard
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
Names and Identifiers Canonical Smiles
CC1=CC=CC=C1[N+](=O)[O-]
IUPAC Name
1-methyl-2-nitrobenzene
InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
Isomeric SMILES
CC1=CC=CC=C1[N+](=O)[O-]
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907580&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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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 a small molecule 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 Solubility Miscible with acetone, benzene, chloroform, diethyl ether, ethanol and petroleum ether. Immiscible with water. Refractive Index 1.5445-1.5465 Flash Point(°F) 203℉ Flash Point(°C) 95℃ Boil Point(°C) 222°C Melt Point(°C) -9°C Molecular Weight 137.140 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 137.048 Da Monoisotopic Mass 137.048 Da Topological Polar Surface Area 45.800 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 130.000 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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