3,4-Dichlorophenol - ≥98% , CAS No.95-77-2

CAS: 95-77-2 Cat. No.: D106520 Fórmula: C6H4Cl2O Peso molecular: 163 Beilstein Registry Number: 1907693 Número CE: 202-450-5
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
070FTM6DVF | NCGC00091625-02 | SMR001371993 | 3,4-Dichlorophenol 10 microg/mL in Methanol | PS-3014 | AC-16396 | BIDD:ER0233 | 3,4-DICHLOROPHENOL [HSDB] | SCHEMBL224868 | DTXCID505005 | NSC60648 | NSC-60648 | 3,4-dichloro phenol | DICHLOROPHENOL, 3,4- | T
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
Size
Alemanha (EU)
USA*
Price
Qty
1g
D106520-1g
1 Em stock
8,59€
5g
D106520-5g
2 Em stock

17,27€

25,95€
Gravar 8,68 € (33.44%)
25g
D106520-25g
1 Em stock

38,09€

69,33€
Gravar 31,24 € (45.06%)
100g
D106520-100g
1 Em stock

118,79€

194,29€
Gravar 75,49 € (38.86%)
500g
D106520-500g
1 Em stock

442,46€

777,41€
Gravar 334,95 € (43.09%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged 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.

Visão geral

Application 3,4-Dichlorophenol (3,4-DCP) is used in the synthesis of (Z)-5-arylmethylidene rhodanines as anti-methicillin-resistant Staphylococcus aureus (MRSA) agent. It can also be used in the preparation of 2-(3,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide for the treatment of inflammatory pain.

Specifications

Sinónimos
070FTM6DVF | NCGC00091625-02 | SMR001371993 | 3,4-Dichlorophenol 10 microg/mL in Methanol | PS-3014 | AC-16396 | BIDD:ER0233 | 3,4-DICHLOROPHENOL [HSDB] | SCHEMBL224868 | DTXCID505005 | NSC60648 | NSC-60648 | 3,4-dichloro phenol | DICHLOROPHENOL, 3,4- | T
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature,Argon charged
Enviado em
FedEx DG Service
Pureza
≥98%
Nomes e identificadores
Pubchem Sid504751285
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751285
Sorrisos canónicosC1=CC(=C(C=C1O)Cl)Cl
IUPAC Name3,4-dichlorophenol
InChIKeyWDNBURPWRNALGP-UHFFFAOYSA-N
INCHI1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
SMILES isoméricas C1=CC(=C(C=C1O)Cl)Cl
WGK Alemanha 3
RTECS SK8800000
Número UN 2020
Grupo de embalagem III
Peso molecular 163
Beilstein 1907693
Reaxy-Rn 1907693
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907693&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
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents P-chlorophenols  M-chlorophenols  1-hydroxy-2-unsubstituted benzenoids  Aryl chlorides  Organooxygen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-chlorophenol - 3-chlorophenol - 3-halophenol - 4-halophenol - 1,2-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors dichlorophenol
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 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
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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
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.

13 results found

Lot NumberCertificate TypeDataItem
L2409294Certificate of AnalysisSep 02, 2026 D106520
L2409297Certificate of AnalysisSep 02, 2026 D106520
L2409301Certificate of AnalysisSep 02, 2026 D106520
L2409305Certificate of AnalysisSep 02, 2026 D106520
L2409306Certificate of AnalysisSep 02, 2026 D106520
H1827118Certificate of AnalysisOct 14, 2025 D106520
H1827117Certificate of AnalysisApr 27, 2022 D106520
A2213020Certificate of AnalysisJan 26, 2022 D106520
B2215582Certificate of AnalysisJan 08, 2022 D106520
B2215583Certificate of AnalysisJan 08, 2022 D106520
B2215586Certificate of AnalysisJan 08, 2022 D106520
B2215588Certificate of AnalysisJan 08, 2022 D106520
B2215749Certificate of AnalysisJan 08, 2022 D106520

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Propriedades químicas e físicas
SolubilidadeSlightly soluble ion water 9.2 g/L at 20degC. Soluble in aqueous alkali, oxygenated and chlorinated solvents. Soluble in ethanol, benzene, chloroform and ethyl ether.
SensibilidadeAir Sensitive
Ponto de ebulição (°C)145-146°C
Ponto de fusão (°C)65-68°C
Peso molecular163.000 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.964 Da
Monoisotopic Mass161.964 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.100
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. Xu Li, Hu Wei, Luo Xiaogang, Zhang Juan.  (2023)  Covalent organic framework in situ grown on the metal–organic framework as fiber coating for solid-phase microextraction of polycyclic aromatic hydrocarbons in tea.  MICROCHIMICA ACTA,  190  (9): (1-10).  [PMID:37542665] [10.1007/s00604-023-05915-8]
2. Li Xu, Wei Hu, Fengshou Wu, Juan Zhang.  (2023)  In situ growth of porous organic framework on iron wire for microextraction of polycyclic aromatic hydrocarbons.  TALANTA,      [PMID:37279625] [10.1016/j.talanta.2023.124732]
3. Lixia Li, Qinkai Guo, Baohe Lv, Minxue Zheng, Wang Zhan, Yanhong Liu, Wanzhen Xu, Ruiwei Wang, Hongbo Zeng, Baodong Mao.  (2022)  Surface modified silver/magnetite nanocomposite activating hydrogen peroxide for efficient degradation of chlorophenols.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35278862] [10.1016/j.jcis.2022.02.137]
4. Wenchang Wang, Juntao Wang, Shuaihua Zhang, Penglei Cui, Chun Wang, Zhi Wang.  (2016)  A novel Schiff base network-1 nanocomposite coated fiber for solid-phase microextraction of phenols from honey samples.  TALANTA,      [PMID:27769400] [10.1016/j.talanta.2016.08.009]
5. Xingli Liu, Xin Zhou, Chun Wang, Qiuhua Wu, Zhi Wang.  (2015)  Magnetic three-dimensional graphene solid-phase extraction of chlorophenols from honey samples.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,      [PMID:25397363] [10.1080/19440049.2014.983999]
6. Chun Wang, Ruiyang Ma, Qiuhua Wu, Meng Sun, Zhi Wang.  (2014)  Magnetic porous carbon as an adsorbent for the enrichment of chlorophenols from water and peach juice samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25145565] [10.1016/j.chroma.2014.08.002]
Calculadoras de soluções
Revisões

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