2-메톡시사이클로헥사논 - ≥95%(GC) , CAS No.7429-44-9

CAS: 7429-44-9 Cat. No.: M158813 분자식: C₇H₁₂O₂ 분자량: 128.17 Beilstein Registry Number: 8(2)4 EC 번호: 231-071-8

등급 & 순도 ≥95%(GC)

Synonyms

(+/-)-2-methoxycyclohexanone | EINECS 231-071-8 | SY051810 | (RS)-2-methoxycyclohexanone | 2-Methoxycyclohexanone | 2-Methoxy-cyclohexanone | racemic 2-methoxycyclohexanone | 7429-44-9-Deleted-CAS | AKOS009156954 | SCHEMBL181970 | DTXSID20864060 | FT-0643

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

제품 설명: 제품 설명
2-메톡시시클로헥사논의 형태 평형은 적외선 분광법으로 연구되었습니다.

응용 분야：2-메톡시사이클로헥사논은

2- 메 톡시 시클로 헥사 논은 2- (카보 메 톡시) 시클로 헥스 -2- 엔 -1- 원의 합성에 사용되었습니다.

사양

동의어

(+/-)-2-methoxycyclohexanone | EINECS 231-071-8 | SY051810 | (RS)-2-methoxycyclohexanone | 2-Methoxycyclohexanone | 2-Methoxy-cyclohexanone | racemic 2-methoxycyclohexanone | 7429-44-9-Deleted-CAS | AKOS009156954 | SCHEMBL181970 | DTXSID20864060 | FT-0643

사양 및 순도

≥95%(GC)

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

508808478

정식 스마일

COC1CCCCC1=O

IUPAC Name

2-methoxycyclohexan-1-one

InChIKey

JYJURPHZXCLFDX-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3

이성체 SMILES

COC1CCCCC1=O

WGK 독일

3

분자량

128.17

Beilstein

8(2)4

Reaxy-Rn

1906090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906090&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: Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ether - Dialkyl ether - 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

화학 및 물리적 특성

• 감도: air sensitive
• 굴절률: 1.42
• 발화점(°F): 156.2 °F
• 발화점(°C): 69℃
• 끓는점(°C): 88°C/35.3mmHg
• 분자량: 128.169 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1