[1,1′-Biphenyl]-4-carboxylic acid
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![[1,1′-Biphenyl]-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1b20e418c5ea467099aa4e1b0afe113d.png "[1,1′-Biphenyl]-4-carboxylic acid")
[1,1′-Biphenyl]-4-carboxylic acid
structure -
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CAS No:
92-92-2
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Formula:
C13H10O2
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Chemical Name:
[1,1′-Biphenyl]-4-carboxylic acid
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Synonyms:
[1,1′-Biphenyl]-4-carboxylic acid;4-Biphenylcarboxylic acid;Benzoic acid,p-phenyl-;p-Phenylbenzoic acid;4-Carboxybiphenyl;4-Diphenylcarboxylic acid;4-Phenylbenzoic acid;4-Carboxy-1,1′-biphenyl;4-Biphenylylcarboxylic acid;p-Biphenylcarboxylic acid;NSC 23040;92533-42-1
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CAS No:
[1,1′-Biphenyl]-4-carboxylic acid Basic Attributes
198.22
198.22
973519
202-203-1
36J7VPO67K
23040
DTXSID1059074
29163900
Characteristics
37.3
3.5
White to beige Crystalline Powder
1.2±0.1 g/cm3
228 °C
372.6°C at 760 mmHg
170.0±16.7 °C
1.607
Insoluble in water.
Room temperature.
Safety Information
NONH for all modes of transport
1
36/37/38-20/21/22-51-36-22
37/39-26-36
DV1925100
Xi,Xn
Irritant
Stable under normal temperatures and pressures.
P301 + P312 + P330-P305 + P351 + P338
H302-H319
|Warning|H302 (75.47%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 53 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
[1,1′-Biphenyl]-4-carboxylic acid Use and Manufacturing
It is derived from the reaction of biphenyl and chloroacetyl after oxidation with potassium permanganate. Dissolve biphenyl in benzene, slowly add anhydrous aluminum trichloride under stirring, and add chloroacetyl dropwise under slight boiling. After the addition, continue to heat and stir for 2h. The benzene is recovered to the end, and the reactant is poured into ice water to crystallize while it is hot. Take the crystals and react with potassium permanganate below 90°C, filter, and neutralize with hydrochloric acid to a pH of 2 to obtain a crude product. Recrystallization by ethanol and acid-base precipitation are refined to obtain 4-phenylbenzoic acid.
For organic synthesis
[1,1'-Biphenyl]-4-carboxylic acid: ACTIVE
Computed Properties
Molecular Weight:198.22
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.068079557
Monoisotopic Mass:198.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[1,1′-Biphenyl]-4-carboxylic acid
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