3-CHLORO-4-HYDROXYPHENYLACETIC ACID

The CAS register number of Benzeneaceticacid, 3-chloro-4-hydroxy- is 33697-81-3. It also can be called as 2-(3-Chloro-4-hydroxyphenyl)aceticacid and the systematic name about this chemical is (3-chloro-4-hydroxyphenyl)acetic acid. The molecular formula about this chemical is C₈H₇ClO₃ and the molecular weight is 186.59. It belongs to the following product categories which include Aromatic Phenylacetic Acids and Derivatives; C₈; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about Benzeneaceticacid, 3-chloro-4-hydroxy- are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): -1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.14; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 44.14 cm³; (14)Molar Volume: 127.2 cm³; (15)Polarizability: 17.49x10^-24cm³; (16)Surface Tension: 61.6 dyne/cm; (17)Density: 1.466 g/cm³; (18)Flash Point: 164.6 °C; (19)Enthalpy of Vaporization: 62.58 kJ/mol; (20)Boiling Point: 348.6 °C at 760 mmHg; (21)Vapour Pressure: 1.87E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by (4-hydroxy-phenyl)-acetic acid. This reaction will need reagent of Cl₂ and solvent of acetic acid. The reaction needs ambient temperature. The yield is about 68%.

Uses of Benzeneaceticacid, 3-chloro-4-hydroxy-: it can be used to produce 2-(3-chloro-4-hydroxyphenyl)ethanol. This reaction will need reagent of BH₃ and solvent of tetrahydrofuran. The reaction time is 1 hour with ambient temperature. The yield is about 99.1%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves, eye/face and clothing protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1O)CC(=O)O
(2)InChI: InChI=1/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
(3)InChIKey: IYTUKSIOQKTZEG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
(5)Std. InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N