4-ETHYNYLPHTHALIC ANHYDRIDE

The 1,3-Isobenzofurandione,5-ethynyl-, with the CAS registry number 73819-76-8, is also known as 4-Ethynylphthalic anhydride. It belongs to the product categories of Acetylenes; Functionalized Acetylenes. This chemical's molecular formula is C₁₀H₄O₃ and molecular weight is 172.137. What's more, its systematic name is 5-Ethynyl-2-benzofuran-1,3-dione .

Physical properties about 1,3-Isobenzofurandione,5-ethynyl- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.31; (6)ACD/BCF (pH 7.4): 13.31; (7)ACD/KOC (pH 5.5): 221.95; (8)ACD/KOC (pH 7.4): 221.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 42.99 cm³; (15)Molar Volume: 121.6 cm³; (16)Polarizability: 17.04×10^-24 cm³; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 175.6 °C; (20)Enthalpy of Vaporization: 59.73 kJ/mol; (21)Boiling Point: 352.4 °C at 760 mmHg; (22)Vapour Pressure: 3.83E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)c2cc(C#C)ccc12
(2) InChI: InChI=1/C10H4O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h1,3-5H
(3) InChIKey: DXJLXGJIZZNCBO-UHFFFAOYAN