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

CAS: 32768-54-0 Cat. No.: D113531 분자식: C₇H₆Cl₂ 분자량: 161.03 Beilstein Registry Number: 2412384 EC 번호: 251-203-8

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488183252

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

UN 번호

2238

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water
• 동결점(°C): 4 °C
• 굴절률: 1.55-1.552
• 발화점(°F): 83℃
• 발화점(°C): 83℃
• 끓는점(°C): 207-208°C
• 녹는점(°C): 6°C
• 분자량: 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