2,3-DIHYDRO-1-BENZOFURAN-5-CARBONYL CHLORIDE

The 5-Benzofurancarbonylchloride, 2,3-dihydro-, with the CAS registry number 55745-71-6, has the systematic name of 2,3-dihydro-1-benzofuran-5-carbonyl chloride. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Acidhalide; Carbonyl Chlorides; Furans, Benzofurans & Dihydrobenzofurans; Furan & Benzofuran; Carbonyl Chlorides; Furans, Benzofurans & Dihydrobenzofurans. And the molecular formula of the chemical is C₉H₇ClO₂.

The characteristics of 5-Benzofurancarbonylchloride, 2,3-dihydro- are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.06; (6)ACD/BCF (pH 7.4): 38.06; (7)ACD/KOC (pH 5.5): 470.88; (8)ACD/KOC (pH 7.4): 470.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 45.66 cm³; (15)Molar Volume: 135.9 cm³; (16)Polarizability: 18.1×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.342 g/cm³; (19)Flash Point: 110.3 °C; (20)Enthalpy of Vaporization: 53.6 kJ/mol; (21)Boiling Point: 296.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00146 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c2cc1c(OCC1)cc2
(2)InChI: InChI=1/C9H7ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
(3)InChIKey: YQCKMNRXXRJGIZ-UHFFFAOYAK