CAS No.745833-17-4,N-Boc-2,6-difluoroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	745833-17-4
Name:	N-Boc-2,6-difluoroaniline
Article Data:	3

Formula:	C₁₁H₁₃F₂NO₂
Molecular Weight:	229.227
Synonyms:	N-(2,6-Difluorophenyl)(tert-butoxy)carboxamide;
Density:	1.227 g/cm³
Boiling Point:	219.961 °C at 760 mmHg
Flash Point:	86.83 °C
PSA:	38.33000
LogP:	3.38480

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Specification

The N-Boc-2,6-difluoroaniline, with the CAS registry number 745833-17-4, is also known as N-(2,6-Difluorophenyl)(tert-butoxy)carboxamide. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₁H₁₃F₂NO₂ and molecular weight is 229.2232264. Its systematic name is called tert-butyl (2,6-difluorophenyl)carbamate.

Physical properties of N-Boc-2,6-difluoroaniline: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 81; (5)ACD/BCF (pH 7.4): 81; (6)ACD/KOC (pH 5.5): 812; (7)ACD/KOC (pH 7.4): 812; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 56.122 cm³; (13)Molar Volume: 186.866 cm³; (14)Surface Tension: 36.522 dyne/cm; (15)Density: 1.227 g/cm³; (16)Flash Point: 86.83 °C; (17)Enthalpy of Vaporization: 45.638 kJ/mol; (18)Boiling Point: 219.961 °C at 760 mmHg; (19)Vapour Pressure: 0.116 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1c(F)cccc1F
(2)InChI: InChI=1/C11H13F2NO2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15)
(3)InChIKey: QBRORDIPGULCFR-UHFFFAOYAH