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

CAS: 95-77-2 Cat. No.: D106520 Molecular Weight: 163 Beilstein Registry Number: 1907693 EC Number: 202-450-5
AVAILABLE TO ORDER
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
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1g
D106520-1g
2
$9.90
5g
D106520-5g
2

$19.90

$29.90
Save $10.00 (33.44%)
25g
D106520-25g
1

$43.90

$79.90
Save $36.00 (45.06%)
100g
D106520-100g
1

$136.90

$223.90
Save $87.00 (38.86%)
500g
D106520-500g
1

$509.90

$895.90
Save $386.00 (43.09%)
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Why this grade

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

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Storage & shipping

Room temperature,Argon charged 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

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
Specifications & Purity
≥98%
Storage
Room temperature, Argon charged
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504751285
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751285
Canonical SmilesC1=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
Isomeric SMILES C1=CC(=C(C=C1O)Cl)Cl
WGK Germany 3
RTECS SK8800000
UN Number 2020
Packing Group III
Molecular Weight 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
ClassBenzene 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
Associated Targets(non-human)
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
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.

13 results found

Lot NumberCertificate TypeDateItem
H1827118Certificate of AnalysisOct 14, 2025 D106520
B2215582Certificate of AnalysisAug 07, 2025 D106520
B2215583Certificate of AnalysisAug 07, 2025 D106520
B2215586Certificate of AnalysisAug 07, 2025 D106520
B2215588Certificate of AnalysisAug 07, 2025 D106520
L2409294Certificate of AnalysisNov 21, 2024 D106520
L2409297Certificate of AnalysisNov 21, 2024 D106520
L2409301Certificate of AnalysisNov 21, 2024 D106520
L2409305Certificate of AnalysisNov 21, 2024 D106520
L2409306Certificate of AnalysisNov 21, 2024 D106520
B2215749Certificate of AnalysisNov 13, 2023 D106520
H1827117Certificate of AnalysisApr 27, 2022 D106520
A2213020Certificate of AnalysisJan 26, 2022 D106520

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Chemical and Physical Properties
SolubilitySlightly 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.
SensitivityAir Sensitive
Boil Point(°C)145-146°C
Melt Point(°C)65-68°C
Molecular Weight163.000 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
References
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]
Solution Calculators
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