1-Chloro-2,4-dinitrobenzene(CDNB) - ≥97% , CAS No.97-00-7

CAS: 97-00-7 Cat. No.: C469916 Molecular Weight: 202.55 EC Number: 202-551-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2,4-Dinitrophenyl chloride | 3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoic acid | Chlorodinitrobenzene | DTXCID00278 | SMR000857169 | DB11831 | AI3-01053 | SCHEMBL39251 | WLN: WNR BG ENW | 1-Cloro-2,4-dinitrobenzene | GE3IBT7BMN | 1-Chlor-2,4-dinitroben
Storage
Room temperature,Cool
Shipped In
FedEx DG Service
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Size
Status
Price
Qty
100g
C469916-100g
1
$32.90
500g
C469916-500g
1
$65.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Cool 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 41 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2, 4-Dinitrophenyl chloride | 3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoic acid | Chlorodinitrobenzene | DTXCID00278 | SMR000857169 | DB11831 | AI3-01053 | SCHEMBL39251 | WLN: WNR BG ENW | 1-Cloro-2, 4-dinitrobenzene | GE3IBT7BMN | 1-Chlor-2, 4-dinitroben
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
2, 4-dinitrochlorobenzene induces atopic dermatitis in BALB/c mice model.
Storage
Room temperature, Cool
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
IUPAC Name1-chloro-2,4-dinitrobenzene
InChIKeyVYZAHLCBVHPDDF-UHFFFAOYSA-N
INCHI1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
Isomeric SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
UN Number 1577
Packing Group II
Molecular Weight 202.55
Reaxy-Rn 613161
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=613161&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.

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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
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitroaromatic compounds  Chlorobenzenes  Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic 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 - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTM4 Tbio Glutathione S-transferase Mu 4 (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTO1 Tchem Glutathione transferase omega 1 (164 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTM5 Tbio Glutathione S-transferase Mu 5 (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTK1 Tchem Glutathione S-transferase kappa 1 (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGST1 Tbio Microsomal glutathione S-transferase 1 (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGST2 Tbio Microsomal glutathione S-transferase 2 (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGST3 Tbio Microsomal glutathione S-transferase 3 (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
vpr Aberrant vpr protein (14595 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

28 results found

Lot NumberCertificate TypeDateItem
E2607111Certificate of AnalysisMay 11, 2026 C469916
B2625480Certificate of AnalysisMar 04, 2026 C469916
B2625481Certificate of AnalysisMar 04, 2026 C469916
B2625479Certificate of AnalysisMar 04, 2026 C469916
J2527455Certificate of AnalysisOct 29, 2025 C469916
J2527454Certificate of AnalysisOct 29, 2025 C469916
D2527132Certificate of AnalysisApr 30, 2025 C469916
D2527133Certificate of AnalysisApr 30, 2025 C469916
D2527172Certificate of AnalysisApr 30, 2025 C469916
D2601058Certificate of AnalysisApr 30, 2025 C469916
L2406491Certificate of AnalysisDec 11, 2024 C469916
H2401185Certificate of AnalysisAug 12, 2024 C469916
H2401184Certificate of AnalysisAug 12, 2024 C469916
E2428295Certificate of AnalysisJun 12, 2024 C469916
F2506038Certificate of AnalysisJun 12, 2024 C469916
E2428297Certificate of AnalysisJun 12, 2024 C469916
E2428298Certificate of AnalysisJun 11, 2024 C469916
E2428296Certificate of AnalysisJun 11, 2024 C469916
J2318799Certificate of AnalysisMay 11, 2024 C469916
C2404254Certificate of AnalysisMar 19, 2024 C469916
C2404253Certificate of AnalysisMar 19, 2024 C469916
C2404252Certificate of AnalysisMar 19, 2024 C469916
K2323042Certificate of AnalysisNov 30, 2023 C469916
K2303080Certificate of AnalysisNov 10, 2023 C469916
I2322119Certificate of AnalysisOct 07, 2023 C469916
H2322034Certificate of AnalysisAug 25, 2023 C469916
H2322035Certificate of AnalysisAug 25, 2023 C469916
G2312069Certificate of AnalysisJul 21, 2023 C469916

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Chemical and Physical Properties
Solubility alcohol: soluble (hot); alcohol: very slightly soluble (cold); benzene: soluble; carbon disulfide: soluble; diethyl ether: soluble; water: insoluble
Flash Point(°C)194.4°C
Boil Point(°C)315°C
Melt Point(°C)48-50
Molecular Weight202.550 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass201.978 Da
Monoisotopic Mass201.978 Da
Topological Polar Surface Area91.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity224.000
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
Citations of This Product
References
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16. Wenkai Nie, Xuan Zhao, Yan Zhang, Cheng Zeng, Huiwen Yang, Bing Liu.  (2025)  Chlorogenic acid alleviates DNCB-induced atopic dermatitis by inhibiting the Akt1/NF-κB signaling pathway.  EUROPEAN JOURNAL OF PHARMACOLOGY,      [PMID:40118327] [10.1016/j.ejphar.2025.177534]
17. Wei-Huan Xu, Meng-Yao Zhu, Zhi-Heng Xu, Xiao-Jie Li, Chao-Yang Peng, Xiao-Pei Fan, Yong-Qiang Li.  (2025)  Functional characterization of an epsilon glutathione S-transferase (SfGSTe9) associated with insecticide detoxification in Spodoptera frugiperda.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:40015897] [10.1016/j.pestbp.2025.106305]
18. Binghui Li, Xin Wang, Xiaocui Yin, Huiting Hu, Guobing Wei, Jing Zhang, Hao Fan.  (2025)  Homogeneous dual-mode ECL-FL sensor for sensitive hydrogen sulfide detection: Mechanistic insights and applications in environmental and bioanalytical monitoring.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40107094] [10.1016/j.jhazmat.2025.137939]
19. Xu Feng, Cheng-Bin Shan, Jian-Nan Ma, Yue Ma, Na Li, De-Jian Zhang, Zhan-Yuan Lu, Chao-Mei Ma.  (2025)  Main Chemical Components, Activity and Mechanism of Repellence of Cyperus esculentus Essential Oil Against Tribolium confusum.  MOLECULES,  30  (3): (631).  [PMID:39942736] [10.3390/molecules30030631]
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37. Chen Xin, Shen Quanchen, Zhou Runcheng, Lin Yueqiao, Zhou Tong, Chen Kecan, Wang Pengxue, Chen Yanman, Liu Hui, Yang Anping.  (2026)  Screening of active constituents in camellia oil against atopic dermatitis via molecular docking and experimental validation: elucidation of the underlying molecular mechanism.  INFLAMMOPHARMACOLOGY,      [PMID:41579317] [10.1007/s10787-026-02118-4]
38. Hongmei Wang, Bo Lei, Xinyu Bao, Xiaobin Gu, Jing Xia, Yong Huang, Huaqiao Tang, Fei Shi, Xing Huang, Bo liang, Jing Xu.  (2026)  Functional characterization of two delta-class glutathione S-transferases genes in detoxifying acaricides in Sarcoptes scabiei.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:] [10.1016/j.pestbp.2026.106981]
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