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Cyclohexanecarboxylic acid chloride

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Products Intro: Product Name:Cyclohexanecarboxylic acid chloride
CAS:2719-27-9
Purity:99% Package:1KG;10.00;USD
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Products Intro: Product Name:Cyclohexanecarboxylic acid chloride
CAS:2719-27-9
Purity:99% Package:1KG;0.00;USD|250KG;0.00;USD|1000KG;0.00;USD
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CAS:2719-27-9
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CAS:2719-27-9
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Cyclohexanecarboxylic acid chloride manufacturers

Cyclohexanecarboxylic acid chloride Basic information
Product Name:Cyclohexanecarboxylic acid chloride
Synonyms:Cyclohexanecarboxylic acid chloride for synthesis;AKOS BBS-00003918;HEXAHYDROBENZOYL CHLORIDE;CYCLOHEXANECARBONYL CHLORIDE;CYCLOHEXANECARBOXYLIC ACID CHLORIDE;Chlorocarbonylcyclohexane;Cyclohexanoyl chloride;Cyclohexylcarbonyl chloride
CAS:2719-27-9
MF:C7H11ClO
MW:146.61
EINECS:220-322-7
Product Categories:pharmacy, pesticide and organic compounds;ACID CHLORIDES;Halogen compounds;Pharmaceutical Intermediates;ACIDHALIDE
Mol File:2719-27-9.mol
Cyclohexanecarboxylic acid chloride Structure
Cyclohexanecarboxylic acid chloride Chemical Properties
Boiling point 184 °C (lit.)
density 1.096 g/mL at 25 °C (lit.)
refractive index n20/D 1.469(lit.)
Fp 152 °F
storage temp. Store below +30°C.
form Liquid
color Clear colorless to straw
Specific Gravity1.096
Water Solubility HYDROLYSES
Sensitive Moisture Sensitive
BRN 742163
InChI1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyRVOJTCZRIKWHDX-UHFFFAOYSA-N
SMILESClC(=O)C1CCCCC1
CAS DataBase Reference2719-27-9(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexanecarbonyl chloride(2719-27-9)
EPA Substance Registry SystemCyclohexanecarbonyl chloride (2719-27-9)
Safety Information
Hazard Codes C
Risk Statements 34-37-22
Safety Statements 26-28-36/37/39-45
RIDADR UN 3265 8/PG 2
WGK Germany 1
9-19-21
TSCA TSCA listed
HazardClass 8
PackingGroup II
HS Code 29162000
Storage Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsAcute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
STOT SE 3
ToxicityLD50 orally in Rabbit: 965 mg/kg
MSDS Information
ProviderLanguage
Hexahydrobenzoyl chloride English
ACROS English
SigmaAldrich English
ALFA English
Cyclohexanecarboxylic acid chloride Usage And Synthesis
Chemical Propertiesclear colourless to straw coloured liquid
UsesCyclohexanecarbonyl chloride is used in the preparation of five thiourea derivative ligands having anti-bacterial and anti-yeast activity, (N-(diethylcarbamothioyl)cyclohexanecarboxamide, N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide, di-n-butylcarbamothioyl)cyclohexanecarboxamide, N-(diphenylcarbamothioyl)cyclohexanecarboxamide, N-(morpholine-4-carbonothioyl)cyclohexanecarboxamide.
General DescriptionElectrochemical reduction of cyclohexanecarbonyl chloride at a hanging mercury drop electrode in acetonitrile has been reported.
Synthesis
Cyclohexanecarboxylic acid

98-89-5

Cyclohexanecarboxylic acid chloride

2719-27-9

The general procedure for the synthesis of cyclohexanecarboxylic acid from cyclohexanecarboxylic acid is as follows: 20.0 g (of which 6.95 g, 0.054 mol, of cyclohexanecarboxylic acid) of cyclohexanecarboxylic acid solution was added to 1.0 g of n-dodecane (as an internal standard) to a reactor fitted with a condenser and a Dean-Stark water separator. After adding 90 mL of benzene, about 25 mL of benzene was removed by distillation under nitrogen protection to prepare an anhydrous solution. After the reaction solution was cooled to room temperature, 6.0 mL (9.8 g, 0.082 mol) of thionyl chloride was added and the reaction was refluxed for 1 hour. After completion of the reaction, a portion of the reaction solution was taken and reacted with methanol containing a small amount of triethylamine, which was used to identify the product cyclohexanecarbonyl chloride. The yield of methyl cyclohexanecarboxylate was analyzed by gas chromatography (GC). The results showed that the conversion of cyclohexanecarboxylic acid chloride was more than 99% and the selectivity was higher than 99%.

References[1] Patent: US2004/73068, 2004, A1. Location in patent: Page 3
[2] Patent: US2004/73068, 2004, A1. Location in patent: Page 4
[3] Canadian Journal of Chemistry, 1996, vol. 74, # 12, p. 2401 - 2412
[4] Organic Syntheses, 1983, vol. 61, p. 134 - 134
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