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p-Chlorotoluene solution - analytical standard,1000ug/ml in methanol,for water analysis, high purity , CAS No.106-43-4(methanol)

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p-Chlorotoluene solution - analytical standard,1000ug/ml in methanol,for water analysis, high purity , CAS No.106-43-4(methanol)

4 Citations

COA

Grade & Purity:

analytical standard

1000ug/ml in methanol

Cas Number: 106-43-4(methanol)
Molecular Weight: 126.59
Beilstein Registry Number: 1903635
EC Number: 203-397-0
MDL number: MFCD00000631
PubChem CID: 7810

In stock

Item Number

C113012

Grouped product items
SKU	Size	Availability	Price	Qty
C113012-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$56.90
C113012-1.2ml	1.2ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90

Basic Description

Synonyms	4-Chlorotoluene \| 106-43-4 \| 1-Chloro-4-methylbenzene \| P-CHLOROTOLUENE \| Benzene, 1-chloro-4-methyl- \| p-Tolyl chloride \| Toluene, p-chloro- \| 1-Methyl-4-chlorobenzene \| 4-Chloro-1-methylbenzene \| para-Chlorotoluene \| 4-methylchlorobenzene \| NSC 404114 \| 4-CHLOROTOLUENE-D7 \| 1-ch
Specifications & Purity	analytical standard, 1000ug/ml in methanol
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors	a small molecule
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-chloro-4-methylbenzene
INCHI	InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey	NPDACUSDTOMAMK-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)Cl
Isomeric SMILES	CC1=CC=C(C=C1)Cl
WGK Germany	1
UN Number	1230
Packing Group	II
Molecular Weight	126.59
Beilstein	1903635
Reaxy-Rn	1903635
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903635&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
H1210030	Certificate of Analysis	Nov 15, 2022	C113012

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in ethanol, chloroform, acetic acid, and miscible in ether.
Refractive Index	1.52
Flash Point(°F)	11 °C
Flash Point(°C)	11°C
Boil Point(°C)	162°C
Melt Point(°C)	6-8 °C
Molecular Weight	126.580 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	126.024 Da
Monoisotopic Mass	126.024 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lijing Zhang, Jiaqi Han, Yuchao Wang, Wenbo Yang, Shengyang Tao. (2022) Pd/Mg(OH)2/MgO–ZrO2 Nanocomposite Systems for Highly Efficient Suzuki–Miyaura Coupling Reaction at Room Temperature: Implications for Low-Carbon Green Organic Synthesis. ACS Applied Nano Materials, 5 (6): (8059–8069).
2. Jie Yang, Liyuan Huai, Jiang Gan, Hualei Hu, Shenghu Zhou, Jian Zhang. (2022) Self-Etherification of 5-Hydroxymethylfurfural to 5,5′(Oxy-bis(methylene))bis-2-furfural over Hierarchically Micromesoporous ZSM-5: The Role of Brønsted- and Lewis-Acid Sites. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 61 (1): (987–994).
3. Ke Bei, Chuanyong Zhang, Junliang Wang, Kai Li, Jinghui Lyu, Jia Zhao, Jie Chen, I-Ming Chou, Zhiyan Pan. (2016) Solubility and dissolution mechanism of 4-chlorotoluene in subcritical water investigated in a fused silica capillary reactor by in situ Raman spectroscopy. FLUID PHASE EQUILIBRIA, 425 (93).
4. Xi Zhang, Xiaohuan Zang, Guijiang Zhang, Chun Wang, Zhi Wang. (2015) Application of mesoporous carbon as a solid-phase microextraction fiber coating for the extraction of volatile aromatic compounds. JOURNAL OF SEPARATION SCIENCE, 38 (16): (2880-2886).

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