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| CAS No.: | 4755-72-0 |
|---|---|
| Name: | A-CHLOROPHENYLACETIC ACID |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | Aceticacid, chlorophenyl- (6CI,7CI,8CI);(?à)-Phenylchloroacetic acid;2-Chloro-2-phenylaceticacid;Chlorophenylacetic acid;NSC 152981;NSC 175545;Phenylchloroacetic acid;a-Chlorobenzeneacetic acid;a-Chlorophenylacetic acid;2-chloro-2-phenylacetic acid; |
| EINECS: | 225-284-5 |
| Density: | 1.322 g/cm3 |
| Boiling Point: | 282 °C at 760 mmHg |
| Flash Point: | 124.3 °C |
| PSA: | 37.30000 |
| LogP: | 2.05110 |
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Specification
The Benzeneacetic acid, α-chloro- is an organic compound with the formula C8H7ClO2. The IUPAC name of this chemical is 2-Chloro-2-phenylacetic acid. With the CAS registry number 4755-72-0, it is also named as Chloro(phenyl)acetic acid. Besides, it should be refrigerated.
Physical properties about Benzeneacetic acid, α-chloro- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): -1.33; (3)ACD/LogD (pH 7.4): -2.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 42.21 cm3; (14)Molar Volume: 129 cm3; (15)Polarizability: 16.73×10-24 cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.322 g/cm3; (18)Flash Point: 124.3 °C; (19)Enthalpy of Vaporization: 55.01 kJ/mol; (20)Boiling Point: 282 °C at 760 mmHg; (21)Vapour Pressure: 0.00163 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2,2,2-Trichloro-1-phenyl-ethanol. This reaction will need reagent potassium hydroxyde and solvent H2O. The reaction time is 3 days with reaction temperature of 0 °C. The yield is about 60%.
Uses of Benzeneacetic acid, α-chloro-: it can be used to produce Phenylacetic acid at temperature of 20 °C. It will need reagents In; HCl; sodium dodecyl sulfate with reaction time of 1 hour. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
(2)InChIKey: QKSGIGXOKHZCQZ-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
(4)Std. InChIKey: QKSGIGXOKHZCQZ-UHFFFAOYSA-N