CAS No.4653-13-8,4-NAPHTHALEN-1-YL-4-OXO-BUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4653-13-8
Name:	4-NAPHTHALEN-1-YL-4-OXO-BUTYRIC ACID
Article Data:	26

Formula:	C₁₄H₁₂O₃
Molecular Weight:	228.247
Synonyms:	4-NAPHTHALEN-1-YL-4-OXO-BUTYRIC ACID;4-(1-NAPHTHYL)-4-OXOBUTANOIC ACID;4-(1-NAPHTHYL)-4-OXOBUTYRIC ACID;1-(3-CARBOXYPROPIONYL)NAPHTHALENE;CHEMBRDG-BB 5101824;4-keto-4-(1-naphthyl)butyric acid;4-naphthalen-1-yl-4-oxobutanoic acid;4-naphthalen-1-yl-4-oxo-butanoic acid
Density:	1.249 g/cm³
Melting Point:	175℃
Boiling Point:	459.6 °C at 760 mmHg
Flash Point:	245.9 °C
PSA:	54.37000
LogP:	2.88730

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Specification

The 4-Naphthalen-1-yl-4-oxo-butanoic acid, with the CAS registry number of 4653-13-8, is also known as 4-(1-Naphthyl)-4-oxobutanoic acid. Its molecular formula is C₁₄H₁₂O₃ and molecular weight is 228.24. What's more, its IUPAC name is 4-Naphthalen-1-yl-4-oxobutanoic acid.

Physical properties about the 4-Naphthalen-1-yl-4-oxo-butanoic acid are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 4.68; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.09; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 64.95 cm³; (15)Molar Volume: 182.7 cm³; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.249 g/cm³; (18)Flash Point: 245.9 °C; (19)Enthalpy of Vaporization: 75.88 kJ/mol; (20)Boiling Point: 459.6 °C at 760 mmHg; (21)Vapour Pressure: 3.04E-09 mmHg at 25 °C.

Preparation: this chemical can be obtained by Naphthalene and Succinic acid anhydride. The reaction needs solvent Nitrobenzene. The reaction time is 12 h with reaction temperature of 25 °C.

The 4-Naphthalen-1-yl-4-oxo-butanoic acid can be obtained by Naphthalene and Succinic acid anhydride

Uses: it is used to produce other chemicals. For example, it is used to produce 4-[1]Naphthyl-butyric acid. This reaction needs reagent KOH. Meanwhile, it needs solvent Bis-(2-hydroxy-ethyl) ether. The reaction time is 4 h with reaction temperature of 200 °C. The yield is about 71 %.

The 4-Naphthalen-1-yl-4-oxo-butanoic acid is used to produce 4-[1]Naphthyl-butyric acid

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(=O)c2cccc1ccccc12
(2) InChI: InChI=1/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)
(3) InChIKey: YNEXYDHOGAIPHO-UHFFFAOYAN