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4-Chlorobenzeneacetyl chloride

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Name

4-Chlorobenzeneacetyl chloride

EINECS 246-571-1
CAS No. 25026-34-0 Density 1.324 g/cm3
PSA 17.07000 LogP 2.64790
Solubility N/A Melting Point N/A
Formula C8H6Cl2O Boiling Point 254.7 °C at 760 mmHg
Molecular Weight 189.041 Flash Point 103 °C
Transport Information UN 3265 8/PG 2 Appearance clear yellow to brown liquid
Safety 26-36/37/39-45-24/25 Risk Codes 22-34-43
Molecular Structure Molecular Structure of 25026-34-0 (4-Chlorobenzeneacetyl chloride) Hazard Symbols CorrosiveC
Synonyms

p-Chlorophenylacetyl Chloride;

Article Data 110

4-Chlorobenzeneacetyl chloride 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

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