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Cyclohexanecarbonyl chloride, 4-ethyl-, trans(9CI) is a chemical compound characterized by the molecular formula C9H15ClO. It is a derivative of cyclohexanecarbonyl chloride, featuring an ethyl group at the 4-position in a trans-configuration. This colorless, volatile liquid exhibits a strong, pungent odor and is highly reactive, particularly in the presence of water and moisture. Due to its reactivity, it requires careful handling and the use of appropriate protective equipment.

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  • 67589-87-1 Structure
  • Basic information

    1. Product Name: Cyclohexanecarbonyl chloride, 4-ethyl-, trans- (9CI)
    2. Synonyms: Cyclohexanecarbonyl chloride, 4-ethyl-, trans- (9CI)
    3. CAS NO:67589-87-1
    4. Molecular Formula: C9H15ClO
    5. Molecular Weight: 174.6678
    6. EINECS: N/A
    7. Product Categories: ACIDHALIDE
    8. Mol File: 67589-87-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Cyclohexanecarbonyl chloride, 4-ethyl-, trans- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Cyclohexanecarbonyl chloride, 4-ethyl-, trans- (9CI)(67589-87-1)
    11. EPA Substance Registry System: Cyclohexanecarbonyl chloride, 4-ethyl-, trans- (9CI)(67589-87-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 67589-87-1(Hazardous Substances Data)

67589-87-1 Usage

Uses

Used in Organic Synthesis:
Cyclohexanecarbonyl chloride, 4-ethyl-, trans(9CI) is utilized as a versatile building block in organic synthesis for the production of various compounds and materials. Its unique structure and reactivity make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Cyclohexanecarbonyl chloride, 4-ethyl-, trans(9CI) is employed as a key intermediate in the synthesis of various drug molecules. Its ability to form stable derivatives and react with a wide range of functional groups makes it suitable for the development of new therapeutic agents.
Used in Agrochemical Industry:
Cyclohexanecarbonyl chloride, 4-ethyl-, trans(9CI) is also used in the agrochemical industry for the synthesis of active ingredients in pesticides and herbicides. Its reactivity and compatibility with other agrochemical compounds contribute to the development of effective and targeted pest control solutions.
Used in Specialty Chemicals Production:
In the production of specialty chemicals, Cyclohexanecarbonyl chloride, 4-ethyl-, trans(9CI) serves as a crucial intermediate for the synthesis of various high-value compounds. Its unique properties and reactivity enable the creation of novel materials with specific applications in industries such as coatings, adhesives, and polymers.

Check Digit Verification of cas no

The CAS Registry Mumber 67589-87-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,7,5,8 and 9 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 67589-87:
(7*6)+(6*7)+(5*5)+(4*8)+(3*9)+(2*8)+(1*7)=191
191 % 10 = 1
So 67589-87-1 is a valid CAS Registry Number.

67589-87-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-ethylcyclohexane-1-carbonyl chloride

1.2 Other means of identification

Product number -
Other names 4-ethylcyclohexanecarbonyl chloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:67589-87-1 SDS

67589-87-1Relevant articles and documents

Palladium-Catalyzed Migratory Insertion of Carbenes and C-C Cleavage of Cycloalkanecarboxamides

Zhang, Peng,Zeng, Jia,Pan, Ping,Zhang, Xue-Jing,Yan, Ming

supporting information, p. 536 - 541 (2022/01/20)

A palladium catalyzed reaction of cycloalkanecarboxamides and diazomalonates or bis(phenylsulfonyl)diazomethane has been developed. The reaction proceeds via carbene migratory insertion and cascade C-C cleavage pathways. Cycloalkanecarboxamides with four to seven membered rings are applicable in the transformation. A series of ring opening products were prepared with moderate yields. The finding provides valuable clues for the development of new reactions involving carbene migratory insertion and the cleavage of unstrained C(sp3)-C(sp3) bonds.

Liquid crystal of ethyl and propyl aromatic aldehyde with azo core and photosensitivity in mesophase

Wei, Yong-Sheng,Zheng, Min-Yan,Geng, Wei,Wang, Shan,Shang, Yong-Hui

, p. 1883 - 1888 (2015/03/04)

Eight new stable rod-like aromatic aldehyde liquid crystalline molecules with azo bridge have been prepared, in which single or double six-membered carbon ring carboxylic acid mesogenic cores with shorter alkyl chain of ethyl, n-propyl were condensed with hydroxyl azo benzaldehyde. These compounds have been characterized by their spectral data, DSC and HS-POM. These molecules were expected to exhibit liquid crystal phase so that the influence of UV-light on their textures of mesophase could be detected. The results showed that all these target compounds have the temperature range of mesophase between 101 and 145°C. After irradiating under UV-light, they exihibited photo-sensitivity not only in methanol but also in mesophase.

Synthesis, photo-sensitive and electrochemical properties of rod-like aromatic aldehyde with azo bridge

Zheng, Minyan,Wei, Yongsheng,Geng, Wei

, p. 1071 - 1080 (2015/09/01)

Eight new rod-like liquid crystal molecules composed by a long rigid core of three six-member rings (cyclohexane ring or benzene ring), azo, ester and terminal aldehyde groups have been prepared. These rod-like liquid crystalline molecules were designed to construct new structures to further study photo-isomerization in their mesophases. All the compounds have been characterized based on their basic spectral data, differential scanning calorimeter (DSC) and hot stage polarizing optical microscope (HS-POM). The result showed that all the molecules, even those with the shortest terminal methyl group, have liquid crystalline properties. Their mesophases are nematic within the temperature ranges from 85 to 145°C. They exhibit photo-sensitivities not only in methanol solutions but also in a mesophase when exposed to UV light. The highest occupied orbital (HOMO) and the lowest unoccupied orbital (LUMO) and the differences between the frontier molecular orbitals (Eg) of these compounds were determined by cyclic voltammetry. The effect of even-odd carbon number of the terminal straight alkyl chain on the UV spectral data and the Eg were observed. The difference between the Eg of these compounds are in excellent agreement with the difference of their maximum absorption wavelength in UV spectra.

Organic solvent controlling the oxidativity of potassium permanganate

Zheng, Min-Yan,Wei, Yong-Sheng,Fan, Guang,Huang, Yi

experimental part, p. 161 - 164 (2012/08/27)

It has been discovered that potassium permanganate can be a homogenous weak oxidant in organic solvent without the addition of water. If acetone is employed as the only solvent, among some common organic substrates included alkenes, alcohols, arenes, aldehydes and phenols, secondary alcohols are converted to the corresponding ketones and aldehydes to the corresponding acid. Compared with oxidation reaction of potassium permanganate in water, in anhydrous acetone system, potassium permanganate as a weaker oxidant has no influence on the alkyls in benzene rings, double bonds and so on. So potassium permanganate can exhibit selectivity by solvent controlling. Especially, when aldehydes are oxidized, the oxidation process is a green organic reaction for nearly all coproducts and solvent can be recycled.

VIRAL POLYMERASE INHIBITORS

-

Page/Page column 68, (2010/11/28)

Compounds of formula (I): wherein X, R2, R3, R5 and R6 are defined herein, are useful as inhibitors of the hepatitis C virus NS5B polymerase.

Synthesis of Derivatives of 4-Ethylbenzoic and 4-Ethylcyclohexanecarboxylic Acids

Betnev,Obukhova,Budanov,Danilova,Obukhov

, p. 86 - 89 (2007/10/03)

A procedure has been developed for preparation of derivatives of 4-ethylbenzoic and 4-ethycyclohexanecarboxylic acids via liquid-phase catalytic oxidation and hydrogenation. From 4-ethylbenzoyl chloride the corresponding esters and N-arylamides have been synthesized, and from 4-ethylcyclohexanecarbonyl chloride, the corresponding N-arylamides.

Design, synthesis and structure-activity relationship studies of novel 4,4-bis(trifluoromethyl)imidazolines as acyl-CoA: Cholesterol acyltransferase (ACAT) inhibitors and antihypercholesterolemic agents

Li, Hui-Yin,DeLucca, Indawati,Boswell, George A.,Billheimer, Jeffrey T.,Drummond, Spencer,Gillies, Peter J.,Robinson, Candy

, p. 1345 - 1361 (2007/10/03)

Novel 4,4-bis(trifluoromethyl)imidazolines have been found to be the potent acyl-CoA cholesterol acyltransferase (ACAT) inhibitors. ACAT is responsible for cholesterol esterification in the intestine, liver, and the arterial wall. These novel imidazolines

About the Influence of Geometrical Factors on Liquid Crystalline Properties-The Methylene Group as a Central Spacer Unit

Frach, R.,Deutscher, H. -J.,Zaschke, H.,Altmann, H.

, p. 151 - 164 (2007/10/02)

The preparation and liquid crystalline properties of four classes of substance with a central methylene spacer unit are described.As a result of our investigations, it is shown that a "one-atomic" central spacer, such as a methylene group, combined with a

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