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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 m-Nitrotoluene - CP , CAS No.99-08-1
GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical. Synonyms
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
Shipped In
FedEx DG Service
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Why this grade CP CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 同義語
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
名前と識別子 カノニカル・スマイル
CC1=CC(=CC=C1)[N+](=O)[O-]
IUPAC Name
1-methyl-3-nitrobenzene
InChIKey
QZYHIOPPLUPUJF-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
異性体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=1906910&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 分類 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 説明 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.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 Insoluble in water; Degree of Solubility in water: 0.5 g/l 20 °C; Miscible with Alcohol,Ether; Soluble in Benzene 融点（°C） 16 °C 屈折率 1.54 引火点（°F） 208 °F 引火点（°C） 98 °C 沸点（°C） 232°C 融点（°C） 16 °C 分子量 137.140 g/mol XLogP3 2.400 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
よくある質問と記事 Citations of This Product ソリューション計算機 Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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Reconstitution Calculator レビュー Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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