p-Chlorotoluene - AR, ≥98% , CAS No.106-43-4

CAS: 106-43-4 Cat. No.: C104628 Fórmula: C₇H₇Cl Peso molecular: 126.59 Beilstein Registry Number: 1903635 Número CE: 203-397-0

GRADE & PURITY AR, ≥98%

Synonyms

4-methylchlorobenzene | 4-methyl-chlorobenzene | DTXCID904814 | p-Chlorotoluene [UN2238] [Flammable liquid] | AKOS000120044 | S0660 | Tox21_201408 | STL280325 | CAS-106-43-4 | FT-0659662 | Q8R236H42N | 4-Chloro-1-methylbenzene | 1-chloranyl-4-methyl-benz

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

4-methylchlorobenzene | 4-methyl-chlorobenzene | DTXCID904814 | p-Chlorotoluene [UN2238] [Flammable liquid] | AKOS000120044 | S0660 | Tox21_201408 | STL280325 | CAS-106-43-4 | FT-0659662 | Q8R236H42N | 4-Chloro-1-methylbenzene | 1-chloranyl-4-methyl-benz

Especificações e pureza

AR, ≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

AR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488180573
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180573
• Sorrisos canónicos: CC1=CC=C(C=C1)Cl
• IUPAC Name: 1-chloro-4-methylbenzene
• InChIKey: NPDACUSDTOMAMK-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
• SMILES isoméricas: CC1=CC=C(C=C1)Cl
• WGK Alemanha: 1
• Número UN: 2238
• Grupo de embalagem: III
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Data sources

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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (0.04 g/L at 20oc).
• Índice de refração: 1.52
• Ponto de inflamação (°F): 11 °C
• Ponto de inflamação (°C): 11°C
• Ponto de ebulição (°C): 162°C
• Ponto de fusão (°C): 6-8 °C
• Peso molecular: 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 Ų
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 106-43-4, the molecular formula is C7H7Cl, and the molecular weight is 126.59 g/mol. InChIKey NPDACUSDTOMAMK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.