Ethyl 1,3-dihydroxynaphthalene-2-carboxylate supplier

Name
Ethyl-1,3-dihydroxy-2-naphtoate
EINECS
CAS No. 6843-89-6
Article Data8
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point 82 °C
Formula C₁₃H₁₂O₄
Boiling Point 375.5 °C at 760 mmHg
Molecular Weight 232.236
Flash Point 144 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 66.76000
LogP 2.42770

Ethyl 1,3-dihydroxynaphthalene-2-carboxylate 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

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

Product Name

Ethyl-1,3-dihydroxy-2-naphtoate

Ethyl 1,3-dihydroxynaphthalene-2-carboxylate Specification

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