cis-1,3-Dimethylcyclohexane - ≥99% , CAS No.638-04-0

CAS: 638-04-0 Cat. No.: C153348 분자식: C₈H₁₆ 분자량: 112.22 Beilstein Registry Number: 5,36 EC 번호: 211-316-5

등급 & 순도 ≥99%

Synonyms

c-1,3-dimethylcyclohexane | 1,3-Dimethylcyclohexane, cis- | DTXSID30858738 | 1,3-dimethyl(cis)-cyclohexane | AKOS025295579 | Cyclohexane, cis-1,3-dimethyl- | REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE | (Z)-1,3-Dimethylcyclohexane | D1055 | 1,cis-3-Dimethylcyclo

Storage

Room temperature

Shipped In

Normal

개요

cis-1,3-Dimethylcyclohexane undergoes ring opening reaction via dicarbene mechanism in the presence of iridium catalyst supported on SiO2

사양

동의어

c-1,3-dimethylcyclohexane | 1,3-Dimethylcyclohexane, cis- | DTXSID30858738 | 1,3-dimethyl(cis)-cyclohexane | AKOS025295579 | Cyclohexane, cis-1,3-dimethyl- | REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE | (Z)-1,3-Dimethylcyclohexane | D1055 | 1,cis-3-Dimethylcyclo

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

504758121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758121

정식 스마일

CC1CCCC(C1)C

IUPAC Name

(1R,3S)-1,3-dimethylcyclohexane

InChIKey

SGVUHPSBDNVHKL-OCAPTIKFSA-N

INCHI

1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+

이성체 SMILES

C[C@@H]1CCC[C@@H](C1)C

WGK 독일

3

UN 번호

2263

포장 그룹

II

분자량

112.22

Beilstein

5,36

Reaxy-Rn

1900339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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: 1.42
• 발화점(°F): 42.8 °F
• 발화점(°C): 6°C(lit.)
• 끓는점(°C): 120°C(lit.)
• 분자량: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 58.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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 ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 638-04-0, the molecular formula is C8H16, and the molecular weight is 112.22 g/mol. InChIKey SGVUHPSBDNVHKL-OCAPTIKFSA-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.