CAS No.1956-10-1,4-NITROPHENYL CAPRYLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1956-10-1
Name:	4-NITROPHENYL CAPRYLATE
Article Data:	8

Formula:	C₁₄H₁₉NO₄
Molecular Weight:	265.309
Synonyms:	Octanoicacid, p-nitrophenyl ester (7CI,8CI);4-Nitrophenyl caprylate;4-Nitrophenyloctanoate;Caprylic acid p-nitrophenyl ester;NSC 122034;p-Nitrophenoloctanoate;p-Nitrophenyl caprylate;p-Nitrophenyl octanoate;
EINECS:	-0
Density:	1.115 g/cm³
Boiling Point:	378.7 ºC at 760 mmHg
Flash Point:	149.1 ºC
Appearance:	Liquid
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	72.12000
LogP:	4.38390

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Specification

The Octanoic acid,4-nitrophenyl ester, with the CAS registry number 1956-10-1, is also known as p-Nitrophenyl octanoate. This chemical's molecular formula is C₁₄H₁₉NO₄ and molecular weight is 265.30. What's more, its systematic name is 4-Nitrophenyl octanoate. The product should be sealed and stored at the temperature of 2-8 °C and it should be protected from oxidizers. It may cause sensitisation by skin contact. When using it, you need wear suitable protective clothing and gloves.

Physical properties of Octanoic acid,4-nitrophenyl ester are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2115.22; (6)ACD/BCF (pH 7.4): 2115.22; (7)ACD/KOC (pH 5.5): 8353.85; (8)ACD/KOC (pH 7.4): 8353.85; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 71.93 cm³; (15)Molar Volume: 237.9 cm³; (16)Polarizability: 28.51×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 62.66 kJ/mol; (21)Boiling Point: 378.7 °C at 760 mmHg; (22)Vapour Pressure: 6.16E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by octanoyl chloride and 4-nitro-phenol at the ambient temperature. This reaction will need solvent dioxane with the reaction time of 2 hours. The yield is about 71%.

Octanoic acid,4-nitrophenyl ester can be prepared by octanoyl chloride and 4-nitro-phenol at the ambient temperature

Uses of Octanoic acid,4-nitrophenyl ester: it can be used to produce p-aminomethyl octanoate. It will need reagent hydrogen and solvent ethanol. This reaction will also need catalyst platinum oxide and the yield is about 87%.

Octanoic acid,4-nitrophenyl ester can be used to produce p-aminomethyl octanoate

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C14H19NO4/c1-2-3-4-5-6-7-14(16)19-13-10-8-12(9-11-13)15(17)18/h8-11H,2-7H2,1H3
(3)InChIKey: GGIDEJQGAZSTES-UHFFFAOYSA-N