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218594-15-1

Basic Information
CAS No.: 218594-15-1
Name: 2-BROMO-5-(TERT-BUTOXYCARBONYLAMINO)PYRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 218594-15-1 (2-BROMO-5-(TERT-BUTOXYCARBONYLAMINO)PYRIDINE)
Formula: C10H13BrN2O2
Molecular Weight: 273.129
Synonyms: 2-Bromo-5-boc-aminopyridine;tert-Butyl(6-bromopyridin-3-yl)carbamate;
Density: 1.454 g/cm3
Melting Point: 124-126°C
Boiling Point: 300.96 °C at 760 mmHg
Flash Point: 135.816 °C
Hazard Symbols: IrritantXi
Safety: 24/25
PSA: 51.22000
LogP: 3.26410
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Specification

The Carbamic acid,(6-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI), with CAS registry number 218594-15-1, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)Pyridines. It has the systematic name of tert-butyl (6-bromopyridin-3-yl)carbamate. And the chemical formula of this chemical is C10H13BrN2O2.

Physical properties of Carbamic acid,(6-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI): (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 61.91 cm3; (9)Molar Volume: 187.8 cm3; (10)Polarizability: 24.54×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.453 g/cm3; (13)Flash Point: 135.8 °C; (14)Enthalpy of Vaporization: 54.11 kJ/mol; (15)Boiling Point: 301 °C at 760 mmHg; (16)Vapour Pressure: 0.00109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncc(NC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(3)InChIKey: LSFAQGJWQMNXLP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(5)Std. InChIKey: LSFAQGJWQMNXLP-UHFFFAOYSA-N