Cycloheptanone - ≥99% , CAS No.502-42-1

CAS: 502-42-1 Cat. No.: C111127 분자식: C₇H₁₂(=O) 분자량: 112.17 Beilstein Registry Number: 969823 EC 번호: 207-937-6

GRADE & PURITY ≥99%

Synonyms

AMY3995 | J-520144 | LS-13306 | AKOS000118914 | InChI=1/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H | HSDB 2819 | Q413525 | QH80295937 | CYCLOHEPTANONE [MI] | Suberone | MFCD00004159 | NSC9471 | NSC-9471 | FT-0624172 | Cycloheptanone, 99% | AI3-09538 | CYCLOHEPTANONE

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

AMY3995 | J-520144 | LS-13306 | AKOS000118914 | InChI=1/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H | HSDB 2819 | Q413525 | QH80295937 | CYCLOHEPTANONE [MI] | Suberone | MFCD00004159 | NSC9471 | NSC-9471 | FT-0624172 | Cycloheptanone, 99% | AI3-09538 | CYCLOHEPTANONE

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488181129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181129
• 정식 스마일: C1CCCC(=O)CC1
• IUPAC Name: cycloheptanone
• InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
• 이성체 SMILES: C1CCCC(=O)CC1
• WGK 독일: 3
• RTECS: GU3325000
• UN 번호: 1224
• 포장 그룹: III
• 분자량: 112.17
• Beilstein: 969823
• Reaxy-Rn: 969823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: It is insoluble in water
• 굴절률: 1.461
• 발화점(°F): 132.8 °F
• 발화점(°C): 56°C(lit.)
• 끓는점(°C): 180°C
• 녹는점(°C): -21°C
• 분자량: 112.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.400
• 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. Mengyang Liu, Bin Gu, Jingmei Li, Huangzhao Wei, Weiyang Xue, Yukun Jiang, Chenglin Sun.  (2023)  Synergistic Effect Enhancing Baeyer-Villiger Oxidation Performance of Resin-Derived-Carbon Supported FeCe Bimetallic Catalyst.  ChemCatChem,  15  (21): (e202300852).  [PMID:] [10.1002/cctc.202300852]

2. Qianchun Zhang, Qin Zhou, Yun Wu, Yanxin Li, Fengling Tian, Shan Tang, Li Jiang.  (2022)  Enhanced cataluminescence sensing of MIL-53(Al)/Sb2SnO5 composites for isobutanol detection.  MEASUREMENT SCIENCE and TECHNOLOGY,  34  (2): (025106).  [PMID:] [10.1088/1361-6501/ac9d58]

3. Bing Xia, Yuanji Gao, Baocheng Ji, Fengwei Ma, Lisheng Ding, Yan Zhou.  (2018)  Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:29372550] [10.1007/s13361-017-1873-y]

4. Qianchun Zhang, Xixi Long, Shan Tang, Li Jiang, Zhaoru Ban, Yanju Chen, Runkun Zhang.  (2024)  Enhanced Cataluminescence Sensor Based on SiO2/MIL-53(Al) for Detecting Isobutylaldehyde.  MOLECULES,      [PMID:39064866] [10.3390/molecules29143287]

5. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang.  (2024)  Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c02931]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 502-42-1, the molecular formula is C7H12O, and the molecular weight is 112.17 g/mol. InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.