3,4-Dichlorophenol - analytical standard , CAS No.95-77-2

CAS: 95-77-2 Cat. No.: D106521 Summenformel: C6H4Cl2O Molekulargewicht: 163 Beilstein Registry Number: 1907693 EG-Nummer: 202-450-5
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
3,4-DICHLOROPHENOL|95-77-2|Phenol, 3,4-dichloro-|4,5-Dichlorophenol|070FTM6DVF|DTXSID7025005|CHEBI:34323|MFCD00002258|NSC-60648|CCRIS 5904|HSDB 4247|EINECS 202-450-5|NSC 60648|UNII-070FTM6DVF|BRN 1907693|Phenol, 3,4-dichloro-; 3,4-Dichlorophenol; 4,5-Dich
Storage
Room temperature
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Size
Deutschland (EU)
USA*
Price
Qty
250mg
D106521-250mg
3 Auf Lager

78,01€

91,89€
Speichern 13,88 € (15.11%)
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Why this grade

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

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Storage & shipping

Room temperature 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.

Specifications

Synonyme
3,4-DICHLOROPHENOL | 95-77-2 | Phenol, 3,4-dichloro- | 4,5-Dichlorophenol | 070FTM6DVF | DTXSID7025005 | CHEBI:34323 | MFCD00002258 | NSC-60648 | CCRIS 5904 | HSDB 4247 | EINECS 202-450-5 | NSC 60648 | UNII-070FTM6DVF | BRN 1907693 | Phenol, 3,4-dichloro-; 3,4-Dichlorophenol; 4,5-Dich
Spezifikationen & Reinheit
analytical standard
Storage
Room temperature
Verschickt in
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Note
Analytischer Standard
Namen und Kennungen
Pubchem Sid528757900
Kanonisches LächelnC1=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
Isomere SMILES C1=CC(=C(C=C1O)Cl)Cl
WGK Deutschland 3
RTECS SK8800000
UN-Nummer 2020
Verpackungsgruppe III
Molekulargewicht 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
KlasseBenzene 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
BeschreibungThis 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-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

1 results found

Lot NumberCertificate TypeDatumArtikel
E1210021Certificate of AnalysisFeb 07, 2025 D106521
Chemische und physikalische Eigenschaften
Siedepunkt (°C)145-146°C
Schmelzpunkt (°C)65-68°C
Molekulargewicht163.000 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
Referenzen
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]
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