Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chloro-4-hydroxyphenylacetic acid |
EINECS | 251-643-0 |
CAS No. | 33697-81-3 | Density | 1.466 g/cm3 |
PSA | 57.53000 | LogP | 1.67270 |
Solubility | N/A | Melting Point |
108-110 °C(lit.) |
Formula | C8H7ClO3 | Boiling Point | 348.6 °C at 760 mmHg |
Molecular Weight | 186.595 | Flash Point | 164.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aceticacid, (3-chloro-4-hydroxyphenyl)- (8CI);2-(3-Chloro-4-hydroxyphenyl)aceticacid;3-Chloro-4-hydroxybenzeneacetic acid;3-Chloro-4-hydroxyphenylaceticacid;4-Hydroxy-3-chlorophenylacetic acid; |
Article Data | 8 |
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