Himic anhydride Nadic anhydride 826-62-0
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1. Introduction of Himic anhydride
Himic anhydride (CAS NO.826-62-0) is one kind of light yellow liquid. 3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione is the systematic name of this product. Besides, it belongs to Norbornene Derivatives.
2. Basic information of Himic anhydride
1) Properties
(1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20.96; (5)ACD/KOC (pH 7.4): 20.96; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 39.08 cm3; (12)Molar Volume: 116.78 cm3; (13)Polarizability: 15.493×10-24cm3; (14)Surface Tension: 50.991 dyne/cm; (15)Density: 1.406 g/cm3; (16)Flash Point: 163.801 °C; (17)Enthalpy of Vaporization: 57.369 kJ/mol; (18)Boiling Point: 331.056 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
2) The following information could be converted into the structure:
(1)InChI: InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2
(2)InChIKey: KNDQHSIWLOJIGP-UHFFFAOYSA-N
(3)Canonical SMILES: C1C2C=CC1C3C2C(=O)OC3=O
(4)SMILES: C1C2C=CC1C3C2C(=O)OC3=O
3) Applications of Himic anhydride
Himic anhydride and ethanol can be reacted to produce (+-)-norborn-5-ene-2endo,3endo-dicarboxylic acid monoethyl ester. The detailed reaction is as follows:
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