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4-Methyl-1-naphthoic acid

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Name

4-Methyl-1-naphthoic acid

EINECS N/A
CAS No. 4488-40-8 Density 1.222 g/cm3
PSA 37.30000 LogP 2.84640
Solubility N/A Melting Point 179-181 °C(lit.)
Formula C12H10O2 Boiling Point 387.4 °C at 760 mmHg
Molecular Weight 186.21 Flash Point 174 °C
Transport Information N/A Appearance Off-white solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4488-40-8 (4-METHYL-1-NAPHTHOIC ACID) Hazard Symbols N/A
Synonyms

1-Naphthoicacid, 4-methyl- (6CI,7CI,8CI);1-Methyl-4-naphthalenecarboxylic acid;1-Methyl-4-naphthoic acid;4-Methyl-1-naphthalenecarboxylic acid;

Article Data 25

4-Methyl-1-naphthoic acid Specification

The 4-Methyl-1-naphthalenecarboxylic acid with cas registry number of 4488-40-8 is also known as 1-Naphthalenecarboxylic acid, 4-methyl-. Both its systematic name and IUPAC name are the same which is called 4-methylnaphthalene-1-carboxylic acid. This chemical belongs to the categories: C11 to C12; Carbonyl Compounds; Carboxylic Acids.

The physical properties about this chemical are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 12.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 82.14; (8)ACD/KOC (pH 7.4): 2.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 55.85 cm3; (14)Molar Volume: 152.3 cm3; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.222 g/cm3; (17)Flash Point: 174 °C; (18)Enthalpy of Vaporization: 67.13 kJ/mol; (19)Boiling Point: 387.4 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-06 mmHg at 25°C.

Preparation of 4-Methyl-1-naphthalenecarboxylic acid: it can be made by reaction of 1-methyl-naphthalene and carbon dioxide. In this process, you still need reagent AlBr3, solvent benzene. The reaction occurs at temperature 40 ℃ for 24 hours under pressure 22,501.8 with 33% yield.

Uses of 4-Methyl-1-naphthalenecarboxylic acid: this chemical can be used to prepare (4-Methyl-[1]naphthyl)-methanol by using reagent BH3 and solvent tetrahydrofuran at ambient temperature. It will last 1 hour with 90% yield.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c1ccccc1c(cc2)C;
(2)InChI: InChI=1/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14);
(3)InChIKey: SIVYRLBDAPKADZ-UHFFFAOYAT

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