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

CAS: 95-73-8 Cat. No.: D104649 Fórmula: C₇H₆Cl₂ Peso molecular: 161.03 Beilstein Registry Number: 1931691 Número CE: 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

FedEx DG Service

Specifications

Sinónimos

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

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

• Pubchem Sid: 528757746
• Sorrisos canónicos: 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
• SMILES isoméricas: CC1=C(C=C(C=C1)Cl)Cl
• WGK Alemanha: 2
• RTECS: XT0730000
• Número UN: 3082
• Grupo de embalagem: III
• Peso molecular: 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
    • 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: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.5511
• Ponto de inflamação (°F): 174.2 °F
• Ponto de inflamação (°C): 79℃
• Ponto de ebulição (°C): 198°C
• Ponto de fusão (°C): -13.5°C
• Peso molecular: 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

Referências

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]