2-CHLORO-2-PHENYLACETYL CHLORIDE

The Benzeneacetyl chloride,a-chloro-, with the CAS registry number 2912-62-1, is also known as Chloro(phenyl)acetyl chloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 220-826-7. This chemical's molecular formula is C₈H₆Cl₂O and molecular weight is 189.04. What's more, its IUPAC name is called 2-Chloro-2-phenylacetyl chloride. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Benzeneacetyl chloride,a-chloro- are: (1)ACD/LogP: 1.703; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.60; (6)ACD/BCF (pH 7.4): 11.60; (7)ACD/KOC (pH 5.5): 201.15; (8)ACD/KOC (pH 7.4): 201.15; (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: 1.55; (14)Molar Refractivity: 45.533 cm³; (15)Molar Volume: 142.888 cm³; (16)Polarizability: 18.051×10^-24cm³; (17)Surface Tension: 42.336 dyne/cm; (18)Density: 1.323 g/cm³; (19)Flash Point: 104.444 °C; (20)Enthalpy of Vaporization: 46.456 kJ/mol; (21)Boiling Point: 227.981 °C at 760 mmHg; (22)Vapour Pressure: 0.0750 mmHg at 25 °C.

Uses of Benzeneacetyl chloride,a-chloro-: it is used to produce other chemicals. For example, it can react with methanol to get chloro-phenyl-acetic acid methyl ester. This reaction needs reagent Et₃N at temperature of 20 °C. The reaction time is 3 hours. The yield is 95 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What's more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you must take off immediately all contaminated clothing. In case of contacting with eyes or skin, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C(Cl)=O)c1ccccc1
(2) InChI: InChI=1S/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H
(3) InChIKey: FGEAOSXMQZWHIQ-UHFFFAOYSA-N