1-클로로펜탄 - ≥99% , CAS No.543-59-9

CAS: 543-59-9 Cat. No.: C109474 분자식: C₅H₁₁Cl 분자량: 106.59 Beilstein Registry Number: 1696936 EC 번호: 208-846-4

GRADE & PURITY ≥99%

Synonyms

Pentyl chloride | Amyl chloride

Storage

Room temperature

Shipped In

보통

Specifications

동의어

Pentyl chloride | Amyl chloride

사양 및 순도

≥99%

보관 조건

Room temperature

배송

보통

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488181238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181238
• 정식 스마일: CCCCCCl
• IUPAC Name: 1-chloropentane
• InChIKey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
• INCHI: 1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
• 이성체 SMILES: CCCCCCl
• WGK 독일: 3
• UN 번호: 1107
• 포장 그룹: II
• 분자량: 106.59
• Beilstein: 1696936
• Reaxy-Rn: 1696936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Not soluble in water, but miscible with ethanol and ether.
• 굴절률: 1.413
• 발화점(°F): 53.6 °F
• 발화점(°C): 12 °C
• 끓는점(°C): 107.8°C
• 녹는점(°C): -60°C
• 분자량: 106.590 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 106.055 Da
• Monoisotopic Mass: 106.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 19.900
• 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

참고 문헌

1. Wang Zhao, Cheng Xu, Nuo Xu, Guitao Du, Xiangli Gao, Jianbo Shuai, Zepeng Lei, Xiaohui Wang.  (2025)  Rapid and Protective Dissolution of Cellulose via Hydrophobicity-Engineered Amphiphilic Ionic Liquids.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c08948]