2,3-Dichlorotoluene - ≥98% , CAS No.32768-54-0

CAS: 32768-54-0 Cat. No.: D113531 Fórmula: C₇H₆Cl₂ Peso molecular: 161.03 Beilstein Registry Number: 2412384 Número CE: 251-203-8

GRAU & PUREZA ≥98%

Synonyms

1,2-Dichloro-3-methylbenzene # | SCHEMBL28351 | EN300-118169 | 1,2-Dichloro-3-methylbenzene | SCHEMBL10520742 | AKOS015888478 | DTXSID0067717 | A821402 | Benzene, 1,2-dichloro-3-methyl- | EINECS 251-203-8 | 2,3-Dichlorotoluene, analytical standard | W-106

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

1,2-Dichloro-3-methylbenzene # | SCHEMBL28351 | EN300-118169 | 1,2-Dichloro-3-methylbenzene | SCHEMBL10520742 | AKOS015888478 | DTXSID0067717 | A821402 | Benzene, 1,2-dichloro-3-methyl- | EINECS 251-203-8 | 2,3-Dichlorotoluene, analytical standard | W-106

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488183252

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183252

Sorrisos canónicos

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

IUPAC Name

1,2-dichloro-3-methylbenzene

InChIKey

GWLKCPXYBLCEKC-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

WGK Alemanha

3

Número UN

2238

Peso molecular

161.03

Beilstein

2412384

Reaxy-Rn

2412384

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412384&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: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water
• Ponto de congelamento (°C): 4 °C
• Índice de refração: 1.55-1.552
• Ponto de inflamação (°F): 83℃
• Ponto de inflamação (°C): 83℃
• Ponto de ebulição (°C): 207-208°C
• Ponto de fusão (°C): 6°C
• Peso molecular: 161.030 g/mol
• XLogP3: 3.500
• 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