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| CAS No.: | 46331-50-4 |
|---|---|
| Name: | 5-METHOXYISOPHTHALIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8O5 |
| Molecular Weight: | 196.16 |
| Synonyms: | Isophthalicacid, 5-methoxy- (6CI,7CI);5-Methoxy-1,3-benzenedicarboxylic acid;5-Methoxyisophthalic acid;NSC 302547; |
| Density: | 1.416 g/cm3 |
| Melting Point: | 275-280 °C(lit.) |
| Boiling Point: | 440.8 °C at 760 mmHg |
| Flash Point: | 183.6 °C |
| Safety: | 24/25 |
| PSA: | 83.83000 |
| LogP: | 1.09160 |
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Specification
The 5-Methoxyisophthalic acid, its cas register number is 46331-50-4. It also can be called as 5-Methoxybenzene-1,3-dicarboxylic acid and the IUPAC name about this chemical is 5-Methoxybenzene-1,3-dicarboxylic acid. It belongs to the following product categories, such as Organic acids, C9, Carbonyl Compounds, Carboxylic Acids. WGK Germany about this chemical is 3. 3,5-dimethyl-anisole react with KMnO4 can get this chemical. Also this chemical react with N-hydroxy-succinimide can get 1,3-bis[(succinimidooxy)carbonyl]-5-methoxybenzene.
Following are the chemical properties about 5-Methoxyisophthalic acid: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 61.83Å2; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 46.79 cm3; (7)Molar Volume: 138.4 cm3; (8)Polarizability: 18.54x10-24cm3; (9)Surface Tension: 61.7 dyne/cm; (10)Enthalpy of Vaporization: 73.56 kJ/mol; (11)Vapour Pressure: 1.51E-08 mmHg at 25°C
This chemical can be described computed from structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: POSMIIJADZKUPL-UHFFFAOYSA-N