CAS No.782-28-5,4-(2-Naphthyl)butanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	782-28-5
Name:	4-(2-Naphthyl)butanoic acid
Article Data:	31

Formula:	C₁₄H₁₄O₂
Molecular Weight:	214.264
Synonyms:	2-Naphthalenebutyricacid (6CI,7CI,8CI);4-(2-Naphthyl)butanoic acid;4-(2-Naphthyl)butyric acid;NSC 3036;g-(2-Naphthyl)butyric acid;
Density:	1.164 g/cm³
Melting Point:	94-95 °C
Boiling Point:	395.6 °C at 760 mmHg
Flash Point:	292.5 °C
PSA:	37.30000
LogP:	3.24710

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Specification

The 4-(2-Naphthyl)butanoic acid, with the cas registry number 782-28-5, has the systematic name of 4-(naphthalen-2-yl)butanoic acid. And the molecular formula of the chemical is C₁₄H₁₄O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 52.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 347.61; (8)ACD/KOC (pH 7.4): 5.55; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 64.47 cm³; (15)Molar Volume: 184 cm³; (16)Polarizability: 25.55×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.164 g/cm³; (19)Flash Point: 292.5 °C; (20)Enthalpy of Vaporization: 68.11 kJ/mol; (21)Boiling Point: 395.6 °C at 760 mmHg; (22)Vapour Pressure: 5.71E-07 mmHg at 25°C.

Preparation of 4-(2-Naphthyl)butanoic acid: This chemical can be prepared by 4-[2]naphthyl-4-oxo-butyric acid. The reaction will need reagent N₂H₄^.H₂O and KOH, and the menstruum ethane-1,2-diol. The reaction time is 1.5 hours, and it also need heating.

Uses of 4-(2-Naphthyl)butanoic acid: It can be used to produce 2,3-dihydro-1H-phenanthren-4-one. This reaction will need reagent Nafion-H, and the menstruum xylene. The reaction time is 40 hours with heating, and the yield is about 75%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCc2ccc1c(cccc1)c2
(2)InChI: InChI=1/C14H14O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-2,5-6,8-10H,3-4,7H2,(H,15,16)
(3)InChIKey: HBRVUQIGDLSBCB-UHFFFAOYAH