1,4-Dinitrobenzene - analytical standard, for environmental analysis, ≥99.9% , CAS No.100-25-4

CAS: 100-25-4 Cat. No.: D100641 Fórmula: C6H4N2O4 Peso molecular: 168.11 Beilstein Registry Number: 1105828 Número CE: 202-833-7
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. for Environmental analysis ? Environmental-analysis grade — low background for trace pollutants in water/soil/air. Use in environmental testing where contamination skews trace results. ≥99.9%
Synonyms
1,4-Dinitrobenzene|100-25-4|P-DINITROBENZENE|Benzene, 1,4-dinitro-|Benzene, p-dinitro-|Dithane A-4|Dinitrobenzene, p-|para-Dinitrobenzene|1,4-Dinitro-benzene|DTXSID0021836|CHEBI:51398|NSC-3809|784Q9O56S9|Dinitrobenzene, para-|1,4-Dinitrobenzene, analytica
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
Alemanha (EU)
USA*
Price
Qty
250mg
D100641-250mg
—
5 Em stock
91,89€
1g
D100641-1g
—
2 Em stock
183,01€
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, for environmental analysis, ≥99.9% Analytical standard,for Environmental analysis for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
1,4-Dinitrobenzene | 100-25-4 | P-DINITROBENZENE | Benzene, 1,4-dinitro- | Benzene, p-dinitro- | Dithane A-4 | Dinitrobenzene, p- | para-Dinitrobenzene | 1,4-Dinitro-benzene | DTXSID0021836 | CHEBI:51398 | NSC-3809 | 784Q9O56S9 | Dinitrobenzene, para- | 1,4-Dinitrobenzene, analytica
Especificações e pureza
analytical standard, for environmental analysis, ≥99.9%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
FedEx DG Service
Grau
Analytical standard, for Environmental analysis
Pureza
≥99.9%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751361
Sorrisos canónicos
C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
IUPAC Name
1,4-dinitrobenzene
InChIKey
FYFDQJRXFWGIBS-UHFFFAOYSA-N
INCHI
1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
SMILES isoméricas
C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
WGK Alemanha
3
RTECS
CZ7525000
Número UN
3443
Grupo de embalagem
II
Peso molecular
168.11
Beilstein
1105828
Reaxy-Rn
1105828
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1105828&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 TypeDataItem
J2327223Certificate of AnalysisAug 07, 2025 D100641
J2327226Certificate of AnalysisAug 07, 2025 D100641
I1923010Certificate of AnalysisMar 06, 2025 D100641
I2122205Certificate of AnalysisMar 04, 2025 D100641
I2122206Certificate of AnalysisMar 04, 2025 D100641
C2302505Certificate of AnalysisDec 16, 2024 D100641
C2302463Certificate of AnalysisFeb 20, 2023 D100641
L2031320Certificate of AnalysisOct 19, 2022 D100641
Propriedades químicas e físicas
SolubilidadeSlightly soluble in water, soluble in ethanol, ether, benzene, etc.
Ponto de inflamação (°F)150℃
Ponto de inflamação (°C)150℃
Ponto de ebulição (°C)299°C
Ponto de fusão (°C)174°C
Peso molecular168.110 g/mol
XLogP31.500
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
Complexity165.000
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
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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