ChemicalBook--->CAS DataBase List--->118-04-7

118-04-7

118-04-7 Structure

118-04-7 Structure
IdentificationMore
[Name]

2-(3-Amino-4-chloro-benzoyl)benzoic acid
[CAS]

118-04-7
[Synonyms]

2-(3'-AMINO-4'-CHLOROBENZOYL)BENZOIC ACID
2-(3-AMINO-4-CHLOROBENZOYL)BENZOIC ACID
2-(4-CHLORO-3-AMINOBENZOYL) BENZOIC ACID
LABOTEST-BB LT00012586
2-(3-amino-4-chlorobenzoyl)-benzoicaci
3-Amino-2-Carboxy-4-Chlorobenzophenone
BENZOIC ACID, 2-(3-AMINO-4-CHLOROBENZOYL)
2-(3-Amino-4-chlorobenzoyl)benzoicacid(NH2-CBB)
2-(3-Amino-4-chlorobenzoyl)ben
3'-amino-4'-chlorobenzophenone-2-carboxylic acid
2-(3-AMINO-4-CHLOROBENZOYL)BENZOIC ACIDFLUNARIZINE
[EINECS(EC#)]

204-230-4
[Molecular Formula]

C14H10ClNO3
[MDL Number]

MFCD00007672
[Molecular Weight]

275.69
[MOL File]

118-04-7.mol
Chemical PropertiesBack Directory
[Melting point ]

181.5-182.0 °C(Solv: ethanol (64-17-5))
[Boiling point ]

538.6±50.0 °C(Predicted)
[density ]

1.418±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.24±0.36(Predicted)
[color ]

Pale Yellow
[CAS DataBase Reference]

118-04-7(CAS DataBase Reference)
[EPA Substance Registry System]

118-04-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[TSCA ]

TSCA listed
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium benzoate-->2-(4-Chlorobenzoyl)benzoic acid-->2-(4-Chloro-3-nitrobenzoyl)benzoic acid
[Preparation Products]

Chlortalidone
Hazard InformationBack Directory
[Uses]

2-(3-Amino-4-chlorobenzoyl)benzoic Acid is a useful synthetic intermediate. It is used to prepare protein kinase C phosphorylates synthetic fluorescent reporter.
[Synthesis]

2-(4-Chloro-3-nitrobenzoyl)benzoic acid

85-54-1

2-(3-Amino-4-chloro-benzoyl)benzoic acid

118-04-7

A. To a reaction vessel was added 0.23 mol of 2-(4-chloro-3-nitrobenzoyl)benzoic acid, 300 mL of a 35% by mass sodium nitrate solution and 500 mL of a 24% by mass potassium carbonate solution. The temperature of the solution was raised to 60 °C, followed by the addition of 1.31 g of chlorobenzoic acid solution, 0.311 g of cuprous chloride and 0.211 g of potassium iodide. The stirring speed was controlled to 160 rpm and the temperature of the solution was raised to 70 °C and refluxed for 3 hours. B. The reaction solution was cooled to 20 °C and filtered. The filter cake was washed with sodium bisulfite solution with a mass fraction of 52%, then the temperature of the washed solution was raised to 50 °C, 300 mL of ammonium chloride solution with a mass fraction of 37% was added, and stirred for 90 minutes. C. The solution was cooled to 10 °C and filtered by pumping. The filter cake was washed with potassium bromide solution and subsequently dehydrated with anhydrous magnesium sulfate as dehydrating agent to finally obtain 2-(3-amino-4-chlorobenzoyl)benzoic acid (60.30 g, 95% yield).

[References]

[1] Russian Journal of Organic Chemistry, 2001, vol. 37, # 5, p. 673 - 676
[2] Patent: CN105906521, 2016, A. Location in patent: Paragraph 0019; 0020; 0021; 0022; 0023
[3] Angewandte Chemie - International Edition, 1999, vol. 38, # 18, p. 2777 - 2779
[4] Patent: DE148110,
[5] Journal of Medicinal Chemistry, 1965, vol. 8, p. 691 - 694
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-Amino-4-chloro-benzoyl)benzoic acid(118-04-7)MS
2-(3-Amino-4-chloro-benzoyl)benzoic acid(118-04-7)IR1
2-(3-Amino-4-chloro-benzoyl)benzoic acid(118-04-7)IR2
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