[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans] is a complex organic compound that integrates various functional groups like esters, acid, and fluoro groups into its structure. Its structure includes a 1,1'-Bicyclohexyl backbone, with a propyl group (3 carbon chain) and a 3,4-difluorophenyl ester attached to it. It features a carboxylic acid function, which means it is likely to participate in reactions typical of carboxylic acids. The trans,trans in its name refers to the geometric isomerism configuration of the molecule, indicating that the priority groups are on opposite sides of the double bond.
94840-77-4
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Basic information
- Product Name: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans]
- Synonyms: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans];3,4-difluorophenyl-4'-propylbi(cyclohexane)-4-carboxylate;4-(3,4-Difluorophenyl)-4-(4-propylcyclohexyl)cyclohexanecarboxylate;(trans,trans)-3,4-Difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
- CAS NO:94840-77-4
- Molecular Formula: C22H30 F2 O2
- Molecular Weight: 364.47
- EINECS: N/A
- Product Categories: N/A
- Mol File: 94840-77-4.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 471.928°C at 760 mmHg
- Flash Point: 239.214°C
- Appearance: /
- Density: N/A
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: N/A
- Storage Temp.: Sealed in dry,Room Temperature
- Solubility: N/A
- CAS DataBase Reference: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans](CAS DataBase Reference)
- NIST Chemistry Reference: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans](94840-77-4)
- EPA Substance Registry System: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans](94840-77-4)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 94840-77-4(Hazardous Substances Data)
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94840-77-4 Usage
Uses
Used in Chemical Synthesis:[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans] is used as a chemical intermediate for the synthesis of various complex organic molecules. Its unique structure and functional groups make it a valuable building block in the creation of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans] is used as a key component in the development of new drugs. Its carboxylic acid function and fluoro groups can be exploited to enhance the activity and selectivity of drug candidates, potentially leading to more effective treatments for various diseases.
Used in Material Science:
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans] is used as a component in the development of advanced materials, such as polymers and coatings. Its unique structure and properties can contribute to the creation of materials with improved performance characteristics, such as enhanced durability, chemical resistance, or thermal stability.
Used in Research and Development:
In the field of research and development, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans] is used as a model compound for studying the properties and reactivity of complex organic molecules. Its geometric isomerism and functional groups provide a platform for investigating the effects of molecular structure on chemical behavior and potential applications.
Check Digit Verification of cas no
The CAS Registry Mumber 94840-77-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,8,4 and 0 respectively; the second part has 2 digits, 7 and 7 respectively.Calculate Digit Verification of CAS Registry Number 94840-77:
(7*9)+(6*4)+(5*8)+(4*4)+(3*0)+(2*7)+(1*7)=164
164 % 10 = 4
So 94840-77-4 is a valid CAS Registry Number.
InChI:InChI=1/C22H30F2O2/c1-2-3-15-4-6-17(7-5-15)22(12-10-16(11-13-22)21(25)26)18-8-9-19(23)20(24)14-18/h8-9,14-17H,2-7,10-13H2,1H3,(H,25,26)/p-1
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[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-,3,4-difluorophenyl ester, [trans,trans]
