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4-(4-Chlorophenyl)cyclohexanecarboxylic acid

4-(4-Chlorophenyl)cyclohexanecarboxylic acid structure

CAS No:
95233-37-7
Formula:
C13H15ClO2
Chemical Name:
4-(4-Chlorophenyl)cyclohexanecarboxylic acid
Synonyms:
Cyclohexanecarboxylic acid,4-(4-chlorophenyl)-;4-(4-Chlorophenyl)cyclohexanecarboxylic acid

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4-(4-Chlorophenyl)cyclohexanecarboxylic acid Basic Attributes

Molecular Weight：

238.71

Exact Mass：

238.71

EC Number：

610-473-0

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.7

Density：

1.2±0.1 g/cm3

Melting Point：

250 °C

Boiling Point：

387.1°C at 760 mmHg

Flash Point：

187.9±27.9 °C

Refractive Index：

1.561

Safety Information

hazard class code：

36/37/38-36

safety instructions：

26-36/37/39-22

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P260, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P273, P314, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H315 (71.43%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-(4-Chlorophenyl)cyclohexanecarboxylic acid Use and Manufacturing

Methods of Manufacturing

A mixture of methyl 4-chlorophenylcyclohexylcarboxylate (III)10.08 g (0.04 mol) was added to 250 mlThree bottles, add 80ml of methanol, 20mlWater and lithium hydroxide(3.60 g, 0.15 mol) was added and stirred at room temperature5h, with 1N hydrochloric acid to adjust the pH 1, stirring 30min, the precipitation of solid by filtration, filter cake washedTo a pH of 5 to give the crude product which was recrystallized from 60 ml of ethanol to give 8.50 g of a white solid product, Yield 89percent, content 99.17percent

Uses

Atovaquone intermediate

Computed Properties

Molecular Weight:238.71
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:238.0760574
Monoisotopic Mass:238.0760574
Topological Polar Surface Area:37.3
Heavy Atom Count:16
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-Chlorophenyl)cyclohexanecarboxylic acid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-(4-Chlorophenyl)cyclohexanecarboxylic acid

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