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| CAS No.: | 32178-63-5 |
|---|---|
| Name: | 8-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C12H14O3 |
| Molecular Weight: | 206.241 |
| Synonyms: | 2-Naphthoicacid, 1,2,3,4-tetrahydro-8-methoxy- (8CI);8-Methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid; |
| EINECS: | -0 |
| Density: | 1.195 g/cm3 |
| Melting Point: | 141-143 °C |
| Boiling Point: | 397.3 °C at 760 mmHg |
| Flash Point: | 157.1 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.88470 |
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Specification
The CAS register number of 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy- is 32178-63-5. It also can be called as 2-Carboxy-8-methoxy-1,2,3,4-tetrahydronaphthalene and the IUPAC name about this chemical is 8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. The molecular formula about this chemical is C12H14O3 and the molecular weight is 206.24.
Physical properties about 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy- are: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/BCF (pH 5.5): 7.18; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 79.91; (6)ACD/KOC (pH 7.4): 1.26; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 55.82 cm3; (13)Molar Volume: 172.5 cm3; (14)Polarizability: 22.13x10-24cm3; (15)Surface Tension: 46.8 dyne/cm; (16)Flash Point: 157.1 °C; (17)Enthalpy of Vaporization: 68.31 kJ/mol; (18)Boiling Point: 397.3 °C at 760 mmHg; (19)Vapour Pressure: 5.02E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 3,8-dimethoxynaphthalene-2-carboxylic acid. This reaction will need reagent Li, liq. NH3, t-butyl alcohol and solvent tetrahydrofuran. The yield is about 95%.
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Uses of 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy-: it can be used to produce 5-Bromo-2-carboxy-8-methoxy-1,2,3,4-tetrahydronaphthalene at heating. This reaction will need reagent NBS, hydroquinone and solvent CH2Cl2 with reaction time of 18 hours. The yield is about 92%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Cc1c(cccc1OC)CC2
(2)InChI: InChI=1/C12H14O3/c1-15-11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)
(3)InChIKey: VOAFGTBETRJDPU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H14O3/c1-15-11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)
(5)Std. InChIKey: VOAFGTBETRJDPU-UHFFFAOYSA-N