4-Chloro-3,5-dinitrobenzoic acid

4-Chloro-3,5-dinitrobenzoic acid
  • CAS No.:118-97-8
Other grades of this product :
4-Chloro-3,5-dinitrobenzoic acid Basic information
Product Name:4-Chloro-3,5-dinitrobenzoic acid
Synonyms:TIMTEC-BB SBB003176;CBI-BB ZERO/005300;4-chloro-3,5-dinitrobenzoate;4-chloro-3,5-dinitro-benzoicaci;RARECHEM AL BO 0221;LABOTEST-BB LT00117948;AKOS 212-81;3,5-DINITRO-4-CHLOROBENZOIC ACID
CAS:118-97-8
MF:C7H3ClN2O6
MW:246.56
EINECS:204-290-1
Product Categories:Organic acids;C7;Carbonyl Compounds;Carboxylic Acids
Mol File:118-97-8.mol
4-Chloro-3,5-dinitrobenzoic acid Chemical Properties
Melting point 159-162 °C (lit.)
Boiling point 315°C
density 1.9543 (rough estimate)
refractive index 1.6500 (estimate)
Fp 186°C
storage temp. Sealed in dry,2-8°C
solubility soluble in Methanol
form powder to crystal
pka2?+-.0.10(Predicted)
color Light orange to Yellow to Green
BRN 668253
CAS DataBase Reference118-97-8(CAS DataBase Reference)
EPA Substance Registry SystemBenzoic acid, 4-chloro-3,5-dinitro- (118-97-8)
Safety Information
Hazard Codes Xi,E
Risk Statements 38-36/37/38-36/38-2
Safety Statements 28-24/25-22-35-26
WGK Germany 3
Hazard Note Irritant
TSCA Yes
HS Code 29163990
MSDS Information
ProviderLanguage
3,5-Dinitro-4-chlorobenzoic acid English
SigmaAldrich English
ALFA English
4-Chloro-3,5-dinitrobenzoic acid Usage And Synthesis
Chemical Propertiesyellow crystals
Hazardirritant
SynthesisThe synthesis of 4-Chloro-3,5-dinitrobenzoic acid is as follows:4-chloro-benzoic acid  (20 g, 0.128 mol) was dissolved in H2SO4 (d = 1.835 g/mL, 300 mL) at80 C, and KNO3 (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of 4-Chloro-3,5-dinitrobenzoic acid was 28 g (89%) .
Purification MethodsCrystallise the acid from EtOH/ H2O, EtOH or *C6H6. The 1:1 naphthalene complex (by fusing various ratios of ingredients and recrystallising from EtOH) has m 122o. [Beilstein 9 H 416, 9 III 1953, 9 IV 1360.]
4-Chloro-3,5-dinitrobenzoic acid Preparation Products And Raw materials
Raw materialsSulfuric acid-->Nitric acid-->4-Chlorobenzoic acid
Preparation Products3,5-Dinitro-4-[[4-(phenylamino)-3-(sodiosulfo)phenyl]amino]benzoic acid

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