3-(3-Chlorophenyl)propanoic acid
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3-(3-Chlorophenyl)propanoic acid
structure -
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CAS No:
21640-48-2
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Formula:
C9H9ClO2
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Chemical Name:
3-(3-Chlorophenyl)propanoic acid
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Synonyms:
Benzenepropanoic acid,3-chloro-;Hydrocinnamic acid,m-chloro-;3-Chlorobenzenepropanoic acid;3-Chloro-β-phenylpropionic acid;m-Chlorohydrocinnamic acid;3-Chlorohydrocinnamic acid;3-[3-Chlorophenyl]propionic acid;3-(3-Chlorophenyl)propanoic acid
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CAS No:
3-(3-Chlorophenyl)propanoic acid Basic Attributes
184.62
184.62
1312995-182-4
DTXSID00176032
2916399090
Characteristics
37.3
2.3
white crystal
1.3±0.1 g/cm3
73-74 °C
306.6±17.0°C at 760 mmHg
139.2±20.9 °C
1.559
0.000333mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-41-43
26-39
Xn,Xi
Irritant
P280-P305 + P351 + P338
H302-H317-H318
|Danger|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(3-Chlorophenyl)propanoic acid Use and Manufacturing
B. Pour the reaction solution of step A into a 2L four-necked flask, add 60.0g of sodium hydroxide solid, stir and dissolve completely, then warm up to 60-65 °C and keep the reaction for about 3h. GC control shows the end point, then cool down to 20 ° C, static liquid separation, the separated aqueous phase was added to a 30percent aqueous solution of HCl 190.1g to adjust the pH of about 3.0, the layer was allowed to stand, the organic phase was collected, and then the organic phase was dried over anhydrous sodium sulfate to give 143.2 g, yield 77.6 percent;
Computed Properties
Molecular Weight:184.62
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:184.0291072
Monoisotopic Mass:184.0291072
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(3-Chlorophenyl)propanoic acid
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