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

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Name

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

EINECS 258-553-0
CAS No. 53440-12-3 Density 1.186 g/cm3
PSA 37.30000 LogP 1.87610
Solubility N/A Melting Point 93-96 °C(lit.)
Formula C11H12O2 Boiling Point 343.9 °C at 760 mmHg
Molecular Weight 176.215 Flash Point 156.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53440-12-3 (1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Naphthoic acid, 1,2,3,4-tetrahydro-;

Article Data 24

2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro- Specification

The 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, with the CAS registry number of 53440-12-3, is also known as 2-Naphthoic acid, 1,2,3,4-tetrahydro-. Its EINECS registry number is 258-553-0. Its molecular formula is C11H12O2 and molecular weight is 176.21. What's more, its IUPAC name is 1,2,3,4-Tetrahydronaphthalene-2-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 6.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 72.83; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 49.14 cm3; (15)Molar Volume: 148.5 cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.186 g/cm3; (18)Flash Point: 156.9 °C; (19)Enthalpy of Vaporization: 62.03 kJ/mol; (20)Boiling Point: 343.9 °C at 760 mmHg; (21)Vapour Pressure: 2.61E-05 mmHg at 25 °C.

Preparation: this chemical can be obtained by 3-Methoxy-[2]naphthoic acid. The reaction needs reagents Li, NH3 and solvent Tetrahydrofuran. The reaction time is 30 min with reaction temperature of °C. The yield is about 85 %.

The 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro- can be obtained by 3-Methoxy-[2]naphthoic acid

Uses: it is used to produce other chemicals. For example, it is used to produce C22H22O3. This reaction needs reagent Tetracyanoethylene. Meanwhile, it needs solvent Benzene. The reaction time is 3 h with reaction temperature of 80 °C. The yield is about 50 %.

The 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro- is used to produce C22H22O3

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2Cc1c(cccc1)CC2
(2) InChI: InChI=1/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)
(3) InChIKey: NTAGXJQHJQUOOA-UHFFFAOYAR

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