Products Categories
| CAS No.: | 33697-81-3 |
|---|---|
| Name: | 3-CHLORO-4-HYDROXYPHENYLACETIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7ClO3 |
| Molecular Weight: | 186.595 |
| 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; |
| EINECS: | 251-643-0 |
| Density: | 1.466 g/cm3 |
| Melting Point: | 108-110 °C(lit.) |
| Boiling Point: | 348.6 °C at 760 mmHg |
| Flash Point: | 164.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 57.53000 |
| LogP: | 1.67270 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
What can I do for you?
Get Best Price
Specification
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%.
.png)
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%.
.png)
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