Mesityl Chloride - ≥97% , CAS No.1667-04-5

CAS: 1667-04-5 Cat. No.: M404628 분자식: C₉H₁₁Cl 분자량: 154.64 EC 번호: 674-038-7

GRADE & PURITY ≥97%

Synonyms

MFCD00045173 | 2,6-Trimethylchlorobenzene | Benzene,2-chloro-1,3,5-trimethyl- | FT-0633747 | 2,6-Trimethylmonochlorobenzene | Chlormesitylen | InChI=1/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3 | Mesityl Chloride | 2-Chloro-1,5-trimethylbenzene | Mesityl

Storage

Room temperature

Specifications

동의어

MFCD00045173 | 2,6-Trimethylchlorobenzene | Benzene,2-chloro-1,3,5-trimethyl- | FT-0633747 | 2,6-Trimethylmonochlorobenzene | Chlormesitylen | InChI=1/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3 | Mesityl Chloride | 2-Chloro-1,5-trimethylbenzene | Mesityl

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

Pubchem Sid

488182127

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182127

정식 스마일

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

IUPAC Name

2-chloro-1,3,5-trimethylbenzene

InChIKey

WDZACGWEPQLKOM-UHFFFAOYSA-N

INCHI

1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

이성체 SMILES

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

분자량

154.64

Reaxy-Rn

2042209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• 굴절률: 1.53
• 발화점(°C): 77 °C
• 끓는점(°C): 206 °C
• 분자량: 154.630 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 154.055 Da
• Monoisotopic Mass: 154.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.300
• 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