시클로헥산 - ACS, ≥99% , CAS No.110-82-7

CAS: 110-82-7 Cat. No.: C100587 분자식: C₆H₁₂ 분자량: 84.16 Beilstein Registry Number: 1900230 EC 번호: 203-806-2

GRADE & PURITY ACS, ≥99%

Synonyms

InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H | 시클로헥산 HPLC 등급 | 시클로헥산, 피에이, ACS 시약, 99.0% | ghl.PD_Mitscher_leg0.242 | 시클로헥사노 | 시클로헥산 | 시클로헥산 | Caswell No. 269 | HPLC용 시클로헥산 | 시클로헥산, JIS 특수 등급 | ASTM 방법

Storage

실온, 아르곤 충전

Shipped In

보통

개요

It has a solvent-like odor and an impure, irritating smell, exhibiting two molecular conformations: boat-type and chair-type.Only 1 molecule of cyclohexane is in the boat conformation per 1000 molecules at room temperature.It is a colorless liquid at room temperature with a pungent odor, flammable, soluble in ethanol, benzene, acetone, and carbon tetrachloride, and insoluble in water.

Cyclohexane is a cyclic alkane with high stability and mainly exists in the chair conformation.It acts as a starting reagent in the photoneitrosylation process (PNC) and provides ε-caprolactam.Oxidation with various oxidants such as hydrogen peroxide, tert-butyl peroxide, and molecular oxygen has been reported.

Specifications

동의어

InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H | 시클로헥산 HPLC 등급 | 시클로헥산, 피에이, ACS 시약, 99.0% | ghl.PD_Mitscher_leg0.242 | 시클로헥사노 | 시클로헥산 | 시클로헥산 | Caswell No. 269 | HPLC용 시클로헥산 | 시클로헥산, JIS 특수 등급 | ASTM 방법

사양 및 순도

ACS, ≥99%

보관 조건

실온, 아르곤 충전

배송

보통

등급

ACS

순수함

≥99%

이름과 식별자

Pubchem Sid

508814717

정식 스마일

C1CCCCC1

IUPAC Name

cyclohexane

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

INCHI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

이성체 SMILES

C1CCCCC1

WGK 독일

2

RTECS

GU6300000

UN 번호

1145

포장 그룹

II

분자량

84.16

Beilstein

1900230

Reaxy-Rn

1900225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900225&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: a carbohydrate

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

관련 대상(인간)

OPN1LW Tbio Long-wave-sensitive opsin 1 (8 Activities)

Discover Target: OPN1LW

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, soluble in most organic solvents such as ethanol, ether, benzene and acetone.
• 굴절률: 1.42623
• 발화점(°F): -4.0 °F - closed cup
• 발화점(°C): -20 °C - closed cup
• 끓는점(°C): 80.738°C
• 녹는점(°C): 6 °C
• 분자량: 84.160 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• 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