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

CAS: 528-29-0 Cat. No.: D111112 분자식: C6H4N2O4 분자량: 168.11 Beilstein Registry Number: 642224 EC 번호: 208-431-8
9 Citations COA
1,2-Dinitrobenzene - analytical standard CAS No(528-29-0) by Aladdin Scientific
주문 가능
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
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Size
USA
독일 (EU)*
Price
Qty
100mg
D111112-100mg
주문제작 · 8~12주
US$59.90
250mg
D111112-250mg
2 재고 있음
—
US$129.90
Enter a quantity for the sizes you want to add.
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♡ 위시 리스트 ⇅ 비교하기에 추가 ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 자주 묻는 질문과 기사 Citations of This Product 솔루션 계산기 리뷰
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Why this grade

analytical standard 분석 표준물질 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

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

동의어
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-
사양 및 순도
analytical standard
보관 조건
Room temperature
배송
FedEx DG Service
등급
분석 표준물질
이름과 식별자
Pubchem Sid
528753650
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528753650
정식 스마일
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
이성체 SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
WGK 독일
3
RTECS
CZ7450000
UN 번호
3443(solid)1597(solution)
포장 그룹
II
분자량
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.

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✅ 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
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
관련 대상(비인간)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 Type날짜항목
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
화학 및 물리적 특성
발화점(°F)302.0 °F
발화점(°C)150℃
끓는점(°C)319 °C/773 mmHg
녹는점(°C)118°C
분자량168.110 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
자주 묻는 질문과 기사
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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