Hexachloroacetone - ≥98% , CAS No.116-16-5

CAS: 116-16-5 Cat. No.: H1526046 분자식: C₃Cl₆O 분자량: 264.75 Beilstein Registry Number: 1707475 EC 번호: 204-129-5

GRADE & PURITY ≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

개요

Reagent used for the polymerization of vinyl compounds and for the conversion of nucleoside-3′-phosphonates to the corresponding phosphates

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

• 정식 스마일: C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-one
• InChIKey: DOJXGHGHTWFZHK-UHFFFAOYSA-N
• INCHI: 1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
• 이성체 SMILES: C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• WGK 독일: 2
• RTECS: UC2100000
• UN 번호: 2661
• 포장 그룹: III
• 분자량: 264.75
• Beilstein: 1707475
• Reaxy-Rn: 1707475
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones
            • Level7 Alpha-chloroketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Alpha-haloketones
• Direct Parent: Alpha-chloroketones
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O group.
• External Descriptors: ketone

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: Slightly soluble in water and acetone.
• 감도: Heatand moisture sensitive
• 굴절률: 1.511
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 204°C
• 녹는점(°C): −6-2 °C (lit.)
• 분자량: 264.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 263.805 Da
• Monoisotopic Mass: 261.808 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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. Qianfu Zhang, Zhixuan Li, Sihan Zhou, Ji Li.  (2024)  Regenerative Outcomes of Combining siCOL1A2 Hydrogel with Acupuncture in a Rat Model of Chronic Intervertebral Disc Degeneration.  Bioengineering-Basel,  11  (11): (1066).  [PMID:39593726] [10.3390/bioengineering11111066]

2. Yini Huangfu, Zhezhe Zhao, Xiang Liu, Jingrong Wang, Yufeng Zhang, Tingting Lan, Yonglan Wang, Chenxuan Wu, Ju Zhang, Pingsheng Huang, Chuangnian Zhang, Anjie Dong, Zujian Feng, Deling Kong, Weiwei Wang.  (2025)  An Off-the-Shelf Artificial Blood Clot Hydrogel Neutralizing Multiple Proinflammatory Mediators for Pro-Regenerative Periodontitis Treatment.  Advanced Science,      [PMID:40433947] [10.1002/advs.202504106]