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2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy-

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Name

2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy-

EINECS -0
CAS No. 32178-63-5 Density 1.195 g/cm3
PSA 46.53000 LogP 1.88470
Solubility N/A Melting Point 141-143 °C
Formula C12H14O3 Boiling Point 397.3 °C at 760 mmHg
Molecular Weight 206.241 Flash Point 157.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32178-63-5 (8-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

2-Naphthoicacid, 1,2,3,4-tetrahydro-8-methoxy- (8CI);8-Methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;

Article Data 6

2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-methoxy- 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%.

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%.

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

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