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| CAS No.: | 25026-34-0 |
|---|---|
| Name: | 4-Chlorobenzeneacetyl chloride |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6Cl2O |
| Molecular Weight: | 189.041 |
| Synonyms: | p-Chlorophenylacetyl Chloride; |
| EINECS: | 246-571-1 |
| Density: | 1.324 g/cm3 |
| Boiling Point: | 254.7 °C at 760 mmHg |
| Flash Point: | 103 °C |
| Appearance: | clear yellow to brown liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34-43 |
| Safety: | 26-36/37/39-45-24/25 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 2.64790 |
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Specification
The 4-Chlorobenzeneacetyl chloride, with the CAS registry number 25026-34-0, is also known as p-Chlorophenylacetyl chloride. It belongs to Acid Halides, Carbonyl Compounds, Organic Building Blocks. Its EINECS number is 246-571-1. This chemical's molecular formula is C8H6Cl2O and molecular weight is 189.04. What's more, its IUPAC name is called 2-(4-chlorophenyl)acetyl chloride. It is used to synthesize intermediates.
Physical properties of 4-Chlorobenzeneacetyl chloride are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.16; (6)ACD/BCF (pH 7.4): 83.16; (7)ACD/KOC (pH 5.5): 823.93; (8)ACD/KOC (pH 7.4): 823.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 45.57 cm3; (15)Molar Volume: 142.7 cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Density: 1.324 g/cm3; (18)Flash Point: 103 °C; (19)Enthalpy of Vaporization: 49.21 kJ/mol; (20)Boiling Point: 254.7 °C at 760 mmHg; (21)Vapour Pressure: 0.017 mmHg at 25°C.
Uses of 4-Chlorobenzeneacetyl chloride: it can be used to produce 4'-chloro-4-methoxy-deoxybenzoin at ambient temperature. It will need reagent alchlor and solvent dichloromethane with reaction time of 1.0 hour. The yield is about 78%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and can cause burns. It may cause sensitisation by skin contact. You should avoid contact with skin and eyes. When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of inhalation, you should get medical aid immediately.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1CC(=O)Cl)Cl
(2)InChI: InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
(3)InChIKey: UMQUIRYNOVNYPA-UHFFFAOYSA-N