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| CAS No.: | 6843-89-6 |
|---|---|
| Name: | Ethyl-1,3-dihydroxy-2-naphtoate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C13H12O4 |
| Molecular Weight: | 232.236 |
| Synonyms: | 2-Naphthoicacid, 1,3-dihydroxy-, ethyl ester (6CI,7CI,8CI);1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester;2-Carbethoxy-1,3-dihydroxynaphthalene;Ethyl 1,3-dihydroxy-2-naphthoate;Ethyl1,3-dihydroxynaphthalene-2-carboxylate;NSC 68182; |
| Density: | 1.328 g/cm3 |
| Melting Point: | 82 °C |
| Boiling Point: | 375.5 °C at 760 mmHg |
| Flash Point: | 144 °C |
| PSA: | 66.76000 |
| LogP: | 2.42770 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester, and its systematic name is Ethyl 1,3-dihydroxynaphthalene-2-carboxylate. With the molecular formula of C13H12O4, its molecular weight is 232.23. The CAS registry number of the chemical is 6843-89-6.
Other characteristics of 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester can be summarised as followings: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.656; (8)Molar Refractivity: 64.26 cm3; (9)Molar Volume: 174.8 cm3; (10)Polarizability: 25.47×10-24cm3; (11)Surface Tension: 59.6 dyne/cm; (12)Density: 1.328 g/cm3; (13)Flash Point: 144 °C; (14)Enthalpy of Vaporization: 64.75 kJ/mol; (15)Boiling Point: 375.5 °C at 760 mmHg; (16)Vapour Pressure: 3.59E-06 mmHg at 25°C.
Uses of this chemical: The 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester could react with N,N-dimethyl-4-nitroso-aniline; Hydrochloride, and obtain the 9-Dimethylamino-5-oxo-5H-benzo[a]phenoxazine-6-carboxylic acid ethyl ester. This reaction needs the solvent of Ethanol. The yield is 32 %. In addition, this reaction should be taken for 3 hours at heated condition.
![The 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester could react with N,N-dimethyl-4-nitroso-aniline; Hydrochloride, and obtain the 9-Dimethylamino-5-oxo-5H-benzo[a]phenoxazine-6-carboxylic acid ethyl ester](/UserFilesUpload/uses of 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester.jpg)
![The 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester could react with N,N-dimethyl-4-nitroso-aniline; Hydrochloride, and obtain the 9-Dimethylamino-5-oxo-5H-benzo[a]phenoxazine-6-carboxylic acid ethyl ester](/UserFilesUpload/uses of 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester(2).jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2c(O)c1c(cccc1)cc2O
2.InChI: InChI=1/C13H12O4/c1-2-17-13(16)11-10(14)7-8-5-3-4-6-9(8)12(11)15/h3-7,14-15H,2H2,1H3
3.InChIKey: JNVQTZHEEIATCI-UHFFFAOYAG
4.Std. InChI: InChI=1S/C13H12O4/c1-2-17-13(16)11-10(14)7-8-5-3-4-6-9(8)12(11)15/h3-7,14-15H,2H2,1H3
5.Std. InChIKey: JNVQTZHEEIATCI-UHFFFAOYSA-N