3,4,5,6-Tetrahydrophthalic anhydride

The 3,4,5,6-Tetrahydrophthalic anhydride is an organic compound with the formula C₈H₈O₃. The IUPAC name of this chemical is 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione. With the CAS registry number 2426-02-0, it is also named as 1-Cyclohexene-1,2-dicarboxylic Anhydride. The product's category is Diels-Alder Adducts. Besides, it should be stored in a cool dry and well-ventilated place. It is used as a pesticide, herbicide, epoxy curing agent.

Physical properties about 3,4,5,6-Tetrahydrophthalic anhydride are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 5.29; (5)ACD/BCF (pH 7.4): 5.29; (6)ACD/KOC (pH 5.5): 114.69; (7)ACD/KOC (pH 7.4): 114.69; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å²; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 36.42 cm³; (12)Molar Volume: 117.1 cm³; (13)Polarizability: 14.44×10^-24cm³; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.29 g/cm³; (16)Flash Point: 146.1 °C; (17)Enthalpy of Vaporization: 54.25 kJ/mol; (18)Boiling Point: 302.3 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,3,6 - tetrahydro phthalic anhydride and phosphorus pentoxide. The reaction temperature is 200 °C.

When you are using this chemical, please be cautious about it as the following:
It risk of serious damage to eyes and may cause sensitisation by inhalation and skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, do not breathe dust and avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1OC(=O)/C2=C/1CCCC2
(2)InChI: InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
(3)InChIKey: HMMBJOWWRLZEMI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
(5)Std. InChIKey: HMMBJOWWRLZEMI-UHFFFAOYSA-N