Dichloran - analytical standard , CAS No.99-30-9

CAS: 99-30-9 Cat. No.: D114706 Fórmula: C6H4Cl2N2O2 Peso molecular: 207.01 Beilstein Registry Number: 1459581 Número CE: 202-746-4
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Caswell No. 311 | MLS002152899 | Batran | Bortran | Botran 45W | CDNA | AL-50 | Botran 75b | GRIMACIT | 2,6-Dichloro-4-nitroaniline, 96% | NCGC00259890-01 | Tox21_202341 | Botran | EINECS 202-746-4 | 1-Amino-2,6-dichloro-4-nitrobenzene | SCHEMBL229362 | 2
Storage
Room temperature
Shipped In
Normal
Size
Alemanha (EU)
USA*
Price
Qty
250mg
D114706-250mg
6 Em stock

133,55€

155,24€
Gravar 21,69 € (13.97%)
1g
D114706-1g
3 Em stock
495,39€
5g
D114706-5g
1 Em stock
1980,96€
25g
D114706-25g
Sob encomenda · 8–12 semanas

6618,16€

7923,24€
Gravar 1 305,08 € (16.47%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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
Caswell No. 311 | MLS002152899 | Batran | Bortran | Botran 45W | CDNA | AL-50 | Botran 75b | GRIMACIT | 2,6-Dichloro-4-nitroaniline, 96% | NCGC00259890-01 | Tox21_202341 | Botran | EINECS 202-746-4 | 1-Amino-2,6-dichloro-4-nitrobenzene | SCHEMBL229362 | 2
Especificações e pureza
analytical standard
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
Analytical standard
Nomes e identificadores
Pubchem Sid528772741
Sorrisos canónicosC1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
IUPAC Name2,6-dichloro-4-nitroaniline
InChIKeyBIXZHMJUSMUDOQ-UHFFFAOYSA-N
INCHI1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
SMILES isoméricas C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
WGK Alemanha 3
RTECS BX2975000
Peso molecular 207.01
Beilstein 1459581
Reaxy-Rn 1459581
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1459581&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  Dichlorobenzenes  Aniline and substituted anilines  Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Primary amines  Organopnictogen compounds  Organochlorides  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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 Pesticides
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
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
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botrytis cinerea (4183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus parasiticus (296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum fragariae (147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Penicillium brevicompactum (15 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
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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.

6 results found

Lot NumberCertificate TypeDataItem
K2422366Certificate of AnalysisAug 04, 2026 D114706
L2215922Certificate of AnalysisJun 08, 2026 D114706
J2030051Certificate of AnalysisMar 20, 2026 D114706
J2030050Certificate of AnalysisMar 20, 2026 D114706
J2520171Certificate of AnalysisOct 22, 2025 D114706
A1911051Certificate of AnalysisSep 09, 2022 D114706
Propriedades químicas e físicas
Ponto de fusão (°C)190-192°C
Peso molecular207.010 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass205.965 Da
Monoisotopic Mass205.965 Da
Topological Polar Surface Area71.800 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
Citations of This Product
Referências
1. Zhuojun Yan, Jinni Liu, Congke Miao, Pinjie Su, Guiyue Zheng, Bo Cui, Tongfei Geng, Jiating Fan, Zhiyi Yu, Naishun Bu, Ye Yuan, Lixin Xia.  (2021)  Pyrene-Based Fluorescent Porous Organic Polymers for Recognition and Detection of Pesticides.  MOLECULES,  27  (1): (126).  [PMID:35011357] [10.3390/molecules27010126]
2. Mingyue Wang, Neveen Mohamed Hashem, Hongjuan Zhao, Jian Wang, Yanfeng Sun, Xiaoqing Xiong, Laijiu Zheng, Mamdouh Sofan, Tarek Abou Elmaaty.  (2021)  Effect of the degree of esterification of disperse dyes on the dyeing properties of polyethylene terephthalate in supercritical carbon dioxide.  JOURNAL OF SUPERCRITICAL FLUIDS,      [PMID:] [10.1016/j.supflu.2021.105270]
3. Yuang Zhang, Gagik G. Gurzadyan, Malik Muhammad Umair, Wentao Wang, Rongwen Lu, Shufen Zhang, Bingtao Tang.  (2018)  Ultrafast and efficient photothermal conversion for sunlight-driven thermal-electric system.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.03.098]
4. Min Li, Wujun Ma, Liping Zhang, Christiana Agbo, Shaohai Fu.  (2016)  Investigation from Synthesis to Crystal Structure to Application of Ecofriendly Disperse Dyes on One-Step Dyeing of PET Fabric.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.6b02100]
5. Pei Xiu, Bai Jinchuan, Li Yaming, Kong Xiangbo.  (2024)  A Fluorescent Nanoplatform Based on Tb3+@tartric Acid-Functionalized UiO-67-bpy: A New Strategy of Synergistic Sensitization and its Highly Sensitive Performance toward the Detection of Nitenpyram.  Journal of Inorganic and Organometallic Polymers and Materials,      [PMID:] [10.1007/s10904-024-03420-w]
6. Kaixiang Cui, Yong Chen, Keyu Xie, Haonan Peng, Liping Ding, Yu Fang.  (2025)  Nanoconfined Synthesis of CsPbBr3 Quantum Dots: Enhanced Stability, Tunable Luminescence, and Sensitive Sensing Application.  ACS Applied Materials & Interfaces,      [PMID:40111172] [10.1021/acsami.4c22763]
Calculadoras de soluções
Revisões

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