2，4-Dichlorotoluene - analytical standard , CAS No.95-73-8

CAS: 95-73-8 Cat. No.: D104649 Summenformel: C₇H₆Cl₂ Molekulargewicht: 161.03 Beilstein Registry Number: 1931691 EG-Nummer: 202-445-8

GRADE & PURITY Analytical standard

Synonyms

2,4-DICHLOROTOLUENE|95-73-8|2,4-Dichloro-1-methylbenzene|Benzene, 2,4-dichloro-1-methyl-|Toluene, 2,4-dichloro-|2,4-dichloro-1-methyl-benzene|3S32N6LG3X|DTXSID5040702|NSC-8764|MFCD00000583|HSDB 2567|NSC 8764|EINECS 202-445-8|2,4-dichloromethylbenzene|BRN

Storage

Room temperature

Shipped In

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Specifications

Synonyme

2,4-DICHLOROTOLUENE | 95-73-8 | 2,4-Dichloro-1-methylbenzene | Benzene, 2,4-dichloro-1-methyl- | Toluene, 2,4-dichloro- | 2,4-dichloro-1-methyl-benzene | 3S32N6LG3X | DTXSID5040702 | NSC-8764 | MFCD00000583 | HSDB 2567 | NSC 8764 | EINECS 202-445-8 | 2,4-dichloromethylbenzene | BRN

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

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Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528757746
• Kanonisches Lächeln: CC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: 2,4-dichloro-1-methylbenzene
• InChIKey: FUNUTBJJKQIVSY-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
• Isomere SMILES: CC1=C(C=C(C=C1)Cl)Cl
• WGK Deutschland: 2
• RTECS: XT0730000
• UN-Nummer: 3082
• Verpackungsgruppe: III
• Molekulargewicht: 161.03
• Beilstein: 1931691
• Reaxy-Rn: 1931691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931691&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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: a chloroaromatic compound

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

• Brechungsindex: 1.5511
• Flammpunkt (°F): 174.2 °F
• Flammpunkt (°C): 79℃
• Siedepunkt (°C): 198°C
• Schmelzpunkt (°C): -13.5°C
• Molekulargewicht: 161.030 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.985 Da
• Monoisotopic Mass: 159.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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

Referenzen

1. Jian Zhang, Junkai Tao, Jiashu Li, Mengyu Jing, Yingjie Liu, Qing Ye, Jinlong Li.  (2026)  Experimental determination and calculation of solid-liquid equilibrium for the binary and ternary mixtures of dichlorotoluene isomers.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2026.114855]