Products Categories
CAS No.: | 50-84-0 |
---|---|
Name: | 2,4-Dichlorobenzoic acid |
Article Data: | 83 |
Molecular Structure: | |
Formula: | C7H4Cl2O2 |
Molecular Weight: | 191.014 |
Synonyms: | Benzoic acid, 2,4-dichloro-;2,4-Dichlorobenzoate;2,4-dichloro-benzoic acid; |
EINECS: | 200-067-8 |
Density: | 1.517 g/cm3 |
Melting Point: | 157-160 °C(lit.) |
Boiling Point: | 309.5 °C at 760 mmHg |
Flash Point: | 141 °C |
Solubility: | Insoluble in water |
Appearance: | White to slightly yellowish powder |
Hazard Symbols: | Xi, Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36-37/39-22 |
PSA: | 37.30000 |
LogP: | 2.69160 |
Conditions | Yield |
---|---|
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 240h; Heating; | 100% |
With [bis(acetoxy)iodo]benzene In tetrahydrofuran at 20℃; for 4h; Green chemistry; | 77% |
Conditions | Yield |
---|---|
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 48h; Heating; | 100% |
2,4-dichlorobenzaldoxime
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 145h; Heating; | 98% |
2-bromo-4,6-dichlorobenzoic acid
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With zinc In sodium hydroxide at 25℃; for 2h; | 98% |
Conditions | Yield |
---|---|
With dihydrogen peroxide for 0.0361111h; Microwave irradiation; | 96% |
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 18h; Heating; | 94% |
With polysterene-bound phenylseleninic acid; dihydrogen peroxide In tetrahydrofuran for 12h; Heating; | 93% |
2-oxo-2-(2,4-dichlorophenyl)ethanal
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With pyrrolidine; dihydrogen peroxide In toluene at 25℃; for 2h; | 96% |
With iodine; dimethyl sulfoxide at 180℃; for 0.0833333h; Inert atmosphere; Microwave irradiation; | 92% |
2,3-dichlorotoluene
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With hydrogen bromide In water | 95.1% |
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 60℃; | 94% |
2,4-dichloro-3-(triethylsilyl)benzoic acid
2,4 dichlorobenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water for 2h; Heating; | 92% |
Conditions | Yield |
---|---|
Stage #1: 1-(2,4-dichlorophenyl)ethan-1-one With tert.-butylhydroperoxide; sodium hydroxide; tungsten(VI) oxide In water at 80℃; for 8h; Stage #2: With hydrogenchloride In water | 92% |
With hydroxylamine hydrochloride; iodine In dimethyl sulfoxide at 100℃; for 5h; | 87% |
With Oxone; trifluoroacetic acid In 1,4-dioxane for 10h; Reflux; Green chemistry; | 80% |
With copper(l) iodide; hydroxylamine hydrochloride; oxygen In dimethyl sulfoxide at 100℃; for 12h; | 60% |
With dihydrogen peroxide In water at 22 - 25℃; for 11688h; |
What can I do for you?
Get Best Price
The 2,4-Dichlorobenzoic acid, with the CAS registry number 50-84-0, is a kind of white to slightly yellowish powder. This chemical is soluble in ethanol, diethyl ether, benzene, acetone, chloroform while insoluble in water and normal heptane and it is stable chemically while incompatible with strong oxidizing agents. In addition, its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids; Alpha sort; D; DAlphabetic; DIA - DIC; Pesticides&Metabolites.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.79; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 42.97 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 17.03×10-24 cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.517 g/cm3; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 58.1 kJ/mol; (21)Boiling Point: 309.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000275 mmHg at 25°C; (23)Exact Mass: 189.958835; (24)MonoIsotopic Mass: 189.958835; (25)Topological Polar Surface Area: 37.3; (26)Heavy Atom Count: 11; (27)Complexity: 161.
Use of this chemical: 2,4-dichloro-benzoic acid could react to produce 2-amino-4-chloro-benzoic acid. This reaction could happen in the presence of the reagent of copper powder & ammonia, and it needs the reaction temperature of 120 ℃.
Production method of this chemical: 2,4-dichloro-benzaldehyde could react to produce 2,4-dichloro-benzoic acid. This reaction could happen in the presence of the reagent of sodium perborate tetrahydrate and the solvent of acetic acid, and it needs the reaction temperature of 45 - 50 ℃ with the yield of 87 %.
As to its usage, it is widely applied in many ways. It could be used as the intermediate of bacteriacide pyrifenox and also the intermediate of phytocide pyrazoxyfen; It could also be the intermediate of pharmaceutics, dye and pesticide.
When you are dealing with this chemical, you should be much more cautious. For one thing, it is irritant to eyes, respiratory system and skin, which also may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. If swallowed, it will be dangerous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and do remember not to breathe dust.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)O
(2)InChI: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
(3)InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 830mg/kg (830mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 20, Pg. 332, 1979. |
mouse | LD50 | subcutaneous | 1200mg/kg (1200mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964. |