2,4-Dichlorobenzoic acid

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:

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: