3,4-Dichlorotoluene - analytical standard, for environmental analysis , CAS No.95-75-0

CAS: 95-75-0 Cat. No.: D100627 Fórmula: C₇H₆Cl₂ Peso molecular: 161.03 Beilstein Registry Number: 1931687 Número CE: 202-447-9

GRAU & PUREZA Analytical standard, for Environmental analysis

Synonyms

3,4-DICHLOROTOLUENE|95-75-0|1,2-Dichloro-4-methylbenzene|Benzene, 1,2-dichloro-4-methyl-|Toluene, 3,4-dichloro-|NSC 8765|EINECS 202-447-9|AI3-02581|NSC8765|3,4-dichloro-toluene|EC 202-447-9|3,4-Dichlorotoluene, 97%|CHEMBL47525|SCHEMBL156450|Benzene,2-dich

Storage

Room temperature

Shipped In

FedEx DG Service

Especificações

Sinónimos

3,4-DICHLOROTOLUENE | 95-75-0 | 1,2-Dichloro-4-methylbenzene | Benzene, 1,2-dichloro-4-methyl- | Toluene, 3,4-dichloro- | NSC 8765 | EINECS 202-447-9 | AI3-02581 | NSC8765 | 3,4-dichloro-toluene | EC 202-447-9 | 3,4-Dichlorotoluene, 97% | CHEMBL47525 | SCHEMBL156450 | Benzene,2-dich

Especificações e pureza

analytical standard, for environmental analysis

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard, for Environmental analysis

Nomes e identificadores

Pubchem Sid

528757891

Sorrisos canónicos

CC1=CC(=C(C=C1)Cl)Cl

IUPAC Name

1,2-dichloro-4-methylbenzene

InChIKey

WYUIWKFIFOJVKW-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

SMILES isoméricas

CC1=CC(=C(C=C1)Cl)Cl

WGK Alemanha

2

Número UN

3082

Grupo de embalagem

III

Peso molecular

161.03

Beilstein

1931687

Reaxy-Rn

1931687

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931687&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: 1,2-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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.54
• Ponto de inflamação (°F): 194 °F
• Ponto de inflamação (°C): 90 °C
• Ponto de ebulição (°C): 205°C
• Peso molecular: 161.030 g/mol
• XLogP3: 4.000
• 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