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1,2-Dinitrobenzene - analytical standard , CAS No.528-29-0

CAS: 528-29-0 Cat. No.: D111112 分子式: C6H4N2O4 分子量: 168.11 Beilstein Registry Number: 642224 EC番号: 208-431-8
9 Citations COA
1,2-Dinitrobenzene - analytical standard CAS No(528-29-0) by Aladdin Scientific
注文可能
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
TD1044 | 1,2-Dinitrobenzene | NCGC00164050-02 | O-DINITROBENZENE | Dinitrobenzene, o- | InChI=1/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4 | O-DINITROBENZENE [MI] | o-Dintrobenzene | 1,2-Dinitrobenzene, 97% | 1,2-Dinitrobenzene, analytical standard | FT-
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
USA
ドイツ (EU)*
Price
Qty
100mg
D111112-100mg
受注生産 · 8～12週間
$59.90
250mg
D111112-250mg
2 在庫あり
—
$129.90
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♡ ウィッシュリスト ⇅ 比較リストに入れる ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 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 よくある質問と記事 Citations of This Product ソリューション計算機 レビュー
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Why this grade

analytical standard 分析用標準物質 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.

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

1,2-Dinitrobenzene (o-Dinitrobenzene) is one of the nitroaromatic compounds present in urine which has been studied using gas chromatography-mass spectrometry-selected ion monitoring methods. The electrochemistry of 1,2-dinitrobenzene (o-Dinitrobenzene) is strongly affected by 1,3-diphenylurea.

Specifications

同義語
TD1044 | 1,2-Dinitrobenzene | NCGC00164050-02 | O-DINITROBENZENE | Dinitrobenzene, o- | InChI=1/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4 | O-DINITROBENZENE [MI] | o-Dintrobenzene | 1,2-Dinitrobenzene, 97% | 1,2-Dinitrobenzene, analytical standard | FT-
仕様と純度
analytical standard
保管条件
Room temperature
入荷
FedEx DG Service
等級
分析用標準物質
名前と識別子
パブケム・シド
528753650
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/528753650
カノニカル・スマイル
C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
IUPAC Name
1,2-dinitrobenzene
InChIKey
IZUKQUVSCNEFMJ-UHFFFAOYSA-N
INCHI
1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
異性体SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
WGKドイツ
3
RTECS
CZ7450000
UN番号
3443(solid)1597(solution)
包装グループ
II
分子量
168.11
Beilstein
642224
Reaxy-Rn
642224
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=642224&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.

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📊 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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 dinitrobenzene
3 D構造
インタラクティブ化学構造モデル





関連ターゲット（人間）
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット（非人間）
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate Type日付商品
I2607509Certificate of AnalysisSep 09, 2026 D111112
H2615327Certificate of AnalysisAug 17, 2026 D111112
D2621212Certificate of AnalysisApr 30, 2026 D111112
F2504415Certificate of AnalysisJun 11, 2025 D111112
F2504416Certificate of AnalysisJun 11, 2025 D111112
D2510639Certificate of AnalysisApr 11, 2025 D111112
C2512801Certificate of AnalysisMar 15, 2025 D111112
B2102100Certificate of AnalysisDec 12, 2022 D111112
化学的性質と物理的性質
引火点（°F）302.0 °F
引火点（°C）150℃
沸点（°C）319 °C/773 mmHg
融点（°C）118°C
分子量168.110 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass168.017 Da
Monoisotopic Mass168.017 Da
Topological Polar Surface Area91.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity173.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
よくある質問と記事
From “Reduction First, Then Acylation” to “Direct Amidation”: An Unconventional Route to Amide Bond Formation from Nitro and Nitroso Substrates with α-Keto Carboxylic Acids
Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides
Tags:
Amidation reaction Amide bond construction Nitro compounds
Citations of This Product
How to Cite Aladdin Scientific Products? Citations Search
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