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

CAS: 32768-54-0 Cat. No.: D113531 分子式: C₇H₆Cl₂ 分子量: 161.03 Beilstein Registry Number: 2412384 EC番号: 251-203-8

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488183252

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

UN番号

2238

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 融点（°C）: 4 °C
• 屈折率: 1.55-1.552
• 引火点（°F）: 83℃
• 引火点（°C）: 83℃
• 沸点（°C）: 207-208°C
• 融点（°C）: 6°C
• 分子量: 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