(2-Bromophenoxy)acetic acid CAS NO.1879-56-7

he Acetic acid,2-(2-bromophenoxy)-, with the CAS registry number 1879-56-7, is also known as (2-Bromophenoxy)acetic acid. It belongs to the product category of Organic Acids. This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its IUPAC name is 2-(2-Bromophenoxy)acetic acid. Additionally, it should be preserved hermetically and put in a cool, dry place. It is white to light pink crystalline powder.

Physical properties about Acetic acid,2-(2-bromophenoxy)--: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 46.81 cm³; (15)Molar Volume: 140.7 cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.641 g/cm³; (18)Flash Point: 153.9 °C; (19)Enthalpy of Vaporization: 60.53 kJ/mol; (20)Boiling Point: 330.8 °C at 760 mmHg; (21)Vapour Pressure: 6.51E-05 mmHg at 25 °C; (22)Melting point: 141-145 °C.

Preparation of Acetic acid,2-(2-bromophenoxy)-: it can be obtained by Chloroacetic acid and 2-Bromo-phenol. The reaction occurs with reagent NaOH heating for 1 hour.

Uses of Acetic acid,2-(2-bromophenoxy)-: it is used to produce other chemicals. For example, it can react with Pyridazine-4-carboxylic acid ethyl ester to get 5-(2-Bromo-phenoxymethyl)-pyridazine-4-carboxylic acid ethyl ester. The reaction occurs with reagents AgNO₃, H₂SO₄ and (NH₄)₂S₂O₈ and solvents Toluene and H₂O at temperature of 90 °C for 2 hours. The yield is 41.8 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing and gloves. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1OCC(=O)O

he Acetic acid,2-(2-bromophenoxy)-, with the CAS registry number 1879-56-7, is also known as (2-Bromophenoxy)acetic acid. It belongs to the product category of Organic Acids. This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its IUPAC name is 2-(2-Bromophenoxy)acetic acid. Additionally, it should be preserved hermetically and put in a cool, dry place. It is white to light pink crystalline powder.

Physical properties about Acetic acid,2-(2-bromophenoxy)--: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 46.81 cm³; (15)Molar Volume: 140.7 cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.641 g/cm³; (18)Flash Point: 153.9 °C; (19)Enthalpy of Vaporization: 60.53 kJ/mol; (20)Boiling Point: 330.8 °C at 760 mmHg; (21)Vapour Pressure: 6.51E-05 mmHg at 25 °C; (22)Melting point: 141-145 °C.

Preparation of Acetic acid,2-(2-bromophenoxy)-: it can be obtained by Chloroacetic acid and 2-Bromo-phenol. The reaction occurs with reagent NaOH heating for 1 hour.

Uses of Acetic acid,2-(2-bromophenoxy)-: it is used to produce other chemicals. For example, it can react with Pyridazine-4-carboxylic acid ethyl ester to get 5-(2-Bromo-phenoxymethyl)-pyridazine-4-carboxylic acid ethyl ester. The reaction occurs with reagents AgNO₃, H₂SO₄ and (NH₄)₂S₂O₈ and solvents Toluene and H₂O at temperature of 90 °C for 2 hours. The yield is 41.8 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing and gloves. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1OCC(=O)O