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4-Nitrophenyl palmitate

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Name

4-Nitrophenyl palmitate

EINECS 216-084-9
CAS No. 1492-30-4 Density 1.02 g/cm3
Solubility Melting Point 65-66 °C
Formula C22H35NO4 Boiling Point 483.6 °C at 760 mmHg
Molecular Weight 377.5176 Flash Point 160.7 °C
Transport Information Appearance
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 1492-30-4 (Hexadecanoic acid,4-nitrophenyl ester) Hazard Symbols IrritantXi
Synonyms

Palmiticacid, p-nitrophenyl ester (7CI,8CI);4-Nitrophenyl hexadecanoate;4-Nitrophenylpalmitate;p-Nitrophenyl hexadecanoate;p-Nitrophenyl palmitate;Palmitic acid 4-nitrophenyl ester;

 

4-Nitrophenyl palmitate Specification

The Hexadecanoic acid,4-nitrophenyl ester, with the CAS registry number 1492-30-4, is also known as Palmitic acid 4-nitrophenyl ester. Its EINECS registry number is 216-084-9. This chemical's molecular formula is C22H35NO4 and molecular weight is 377.52. What's more, both its IUPAC name and systematic name are the same which is called 4-Nitrophenyl hexadecanoate. In addition, it should be stored in −20°C.

Physical properties about Hexadecanoic acid,4-nitrophenyl ester are: (1)ACD/LogP: 8.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.93; (4)ACD/LogD (pH 7.4): 8.93; (5)ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1715227; (8)ACD/KOC (pH 7.4): 1715227; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 108.99 cm3; (15)Molar Volume: 369.9 cm3; (16)Polarizability: 43.21×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 160.7 °C; (20)Enthalpy of Vaporization: 74.87 kJ/mol; (21)Boiling Point: 483.6 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-09 mmHg at 25 °C.

Preparation of Hexadecanoic acid,4-nitrophenyl ester: this chemical can be prepared by Hexadecanoyl chloride with 4-Nitro-phenol. This reaction needs reagent Et3N and solvent Tetrahydrofuran by heating. The reaction time is 1 hours. The yield is 82 %.

Hexadecanoic acid,4-nitrophenyl ester can be prepared by Hexadecanoyl chloride with 4-Nitro-phenol

Use of Hexadecanoic acid,4-nitrophenyl ester: it is used to produce other chemicals. For example, it is used to produce Palmitoyl-(S)-ornithine. The reaction occurs with reagent Et3N and solvents H2O , Dioxane at temperature of 50 °C. The reaction time is 4 hours. The yield is 86.5%.

Hexadecanoic acid,4-nitrophenyl ester is used to produce Palmitoyl-(S)-ornithine

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, it may cause sensitisation by skin contact. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
(3)InChIKey: LVZSQWIWCANHPF-UHFFFAOYAU

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