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

CAS: 106-43-4 Cat. No.: C104628 Formule: C₇H₇Cl Poids moléculaire: 126.59 Beilstein Registry Number: 1903635 Numéro 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

Synonymes

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

Spécifications et pureté

AR, ≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

AR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488180573

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180573

Sourires canoniques

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

Isomères SMILES

CC1=CC=C(C=C1)Cl

WGK Allemagne

1

Numéro ONU

2238

Groupe d'emballage

III

Poids moléculaire

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
• 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

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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.04 g/L at 20oc).
• Indice de réfraction: 1.52
• Point d'éclair (°F): 11 °C
• Point d'éclair (°C): 11°C
• Point d'ébullition (°C): 162°C
• Point de fusion (°C): 6-8 °C
• Poids moléculaire: 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

Foire aux questions

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.