α,α,2,6-Tetrachlorotoluene - ≥98%(GC) , CAS No.81-19-6

CAS: 81-19-6 Cat. No.: A137698 Formule: C₇H₄Cl₄ Poids moléculaire: 229.91 Numéro CE: 201-332-0

GRADE & PURITY ≥98%(GC)

Synonyms

Benzene, 1,3-dichloro-2-(dichloromethyl)- | 1,3-Dichloro-2-(dichloromethyl)benzene | 2,6-Dichlorobenzal chloride | ALPHA,ALPHA,2,6-TETRACHLOROTOLUENE | 2,6-DICHLOROBENZALCHLORIDE | 2,6-Dichlorobenzylidene chloride | alpha,alpha-2,6-Tetrachlorotoluene

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

It is a halogenated hydrocarbon.

Specifications

Synonymes

Benzene, 1,3-dichloro-2-(dichloromethyl)- | 1,3-Dichloro-2-(dichloromethyl)benzene | 2,6-Dichlorobenzal chloride | ALPHA,ALPHA,2,6-TETRACHLOROTOLUENE | 2,6-DICHLOROBENZALCHLORIDE | 2,6-Dichlorobenzylidene chloride | alpha,alpha-2,6-Tetrachlorotoluene

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488180127

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180127

Sourires canoniques

C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl

IUPAC Name

1,3-dichloro-2-(dichloromethyl)benzene

InChIKey

QQPXXHAEIGVZKQ-UHFFFAOYSA-N

INCHI

1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H

Isomères SMILES

C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl

Numéro ONU

3265

Groupe d'emballage

I

Poids moléculaire

229.91

Reaxy-Rn

908809

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908809&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This 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: Not available

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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 229.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 229.904 Da
• Monoisotopic Mass: 227.907 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 81-19-6, the molecular formula is C7H4Cl4, and the molecular weight is 229.91 g/mol. InChIKey QQPXXHAEIGVZKQ-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.