alpha-Chloro-p-xylene - ≥99% , CAS No.104-82-5

CAS: 104-82-5 Cat. No.: A101683 Summenformel: C₈H₉Cl Molekulargewicht: 140.61 Beilstein Registry Number: 507387 EG-Nummer: 203-241-1

GRADE & PURITY ≥99%

Synonyms

p-Methylbenzyl chloride | p-Xylyl-.alpha.-chloride | p-Xylyl-alpha-chloride | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | P-XYLYL CHLORIDE [MI] | DTXCID0030081 | STL163458 | (Chloromethyl)toluene [2-(chloromethyl) plus 4-(chloromethyl)] | NSC4659

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

p-Methylbenzyl chloride | p-Xylyl-.alpha.-chloride | p-Xylyl-alpha-chloride | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | P-XYLYL CHLORIDE [MI] | DTXCID0030081 | STL163458 | (Chloromethyl)toluene [2-(chloromethyl) plus 4-(chloromethyl)] | NSC4659

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 508813268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813268
• Kanonisches Lächeln: CC1=CC=C(C=C1)CCl
• IUPAC Name: 1-(chloromethyl)-4-methylbenzene
• InChIKey: DMHZDOTYAVHSEH-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
• Isomere SMILES: CC1=CC=C(C=C1)CCl
• WGK Deutschland: 1
• RTECS: ZE4030000
• UN-Nummer: 3265
• Molekulargewicht: 140.61
• Beilstein: 507387
• Reaxy-Rn: 507387
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Toluenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl chloride - Toluene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in alcohol and ether.
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.533
• Flammpunkt (°F): 167°F
• Flammpunkt (°C): 75℃
• Siedepunkt (°C): 200°C
• Schmelzpunkt (°C): 4°C
• Molekulargewicht: 140.610 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.039 Da
• Monoisotopic Mass: 140.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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