532-27-4

  2-Chloroacetophenone (CAS No.532-27-4) was reported in EPA TSCA Inventory. Community Right-To-Know List.

OSHA PEL: TWA 0.05 ppm
ACGIH TLV: TWA 0.05 ppm; Not Classifiable as a Human Carcinogen
DOT Classification:  6.1; Label: Poison

The 2-Chloroacetophenone with CAS registry number of 532-27-4 is also known as 1-Phenyl-2-chloro-1-ethanone. The IUPAC name is 2-Chloro-1-phenylethanone. It belongs to product categories of Acetylhalide. Its EINECS registry number is 208-531-1. In addition, the formula is C₈H₇ClO and the molecular weight is 154.59. This chemical is a white or light yellow crystal and should be stored in cool, dry and ventilated away from fire and heat.

Physical properties about 2-Chloroacetophenone are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.93; (5)ACD/BCF (pH 7.4): 14.93; (6)ACD/KOC (pH 5.5): 240.95; (7)ACD/KOC (pH 7.4): 240.95; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 41.12 cm³; (13)Molar Volume: 132.3 cm³; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.168 g/cm³; (16)Flash Point: 104.8 °C; (17)Enthalpy of Vaporization: 48.16 kJ/mol; (18)Boiling Point: 244.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0303 mmHg at 25 °C.

Preparation of 2-Chloroacetophenone: it can be synthesized by the friedel-crafts acylation of benzene and chloroacetyl chloride with an aluminium chloride catalyst.

Uses of 2-Chloroacetophenone: it is used as pharmaceutical intermediate and for organic synthesis. What's more, it is used to produce 2-chloromethyl-2-phenyl-[1,3]dioxolane by reaction with ethane-1,2-diol. The reaction needs reagent chlorotrimethylsilane at ambient temperature for 16 hours and the yield is about 99%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is toxic by inhalation, in contact with skin and if swallowed that may cause sensitisation. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep container tightly closed and in a well-ventilated place and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)C(=O)CCl
2. InChI: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
3. InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N

The toxicity data is as follows: