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2-Acetylamino-5-bromo-3-methylpyridine

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Name

2-Acetylamino-5-bromo-3-methylpyridine

EINECS N/A
CAS No. 142404-81-7 Density 1.545 g/cm3
PSA 41.99000 LogP 2.18390
Solubility N/A Melting Point 111-115 °C(lit.)
Formula C8H9BrN2O Boiling Point 357.9 °C at 760 mmHg
Molecular Weight 229.07 Flash Point 170.2 °C
Transport Information N/A Appearance Colorless transparent liquid
Safety 26-36/37/39 Risk Codes 22-41-43
Molecular Structure Molecular Structure of 142404-81-7 (2-Acetylamino-5-bromo-3-methylpyridine) Hazard Symbols HarmfulXn
Synonyms

N-(5-Bromo-3-methylpyridin-2-yl)acetamide;

Article Data 2

2-Acetylamino-5-bromo-3-methylpyridine Specification

The 2-Acetylamino-5-bromo-3-methylpyridine with the CAS number 142404-81-7 is also called Acetamide,N-(5-bromo-3-methyl-2-pyridinyl)-. Both the systematic name and IUPAC name are N-(5-bromo-3-methylpyridin-2-yl)acetamide. Its molecular formula is C8H9BrN2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Acetylamino-5-bromo-3-methylpyridine are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.72; (6)ACD/BCF (pH 7.4): 37.87; (7)ACD/KOC (pH 5.5): 467.32; (8)ACD/KOC (pH 7.4): 469.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 51.13 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 20.26×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Enthalpy of Vaporization: 60.33 kJ/mol; (19)Vapour Pressure: 2.65×10-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed and risk of serious damage to the eyes. It may cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncc(Br)cc1C)C
(2)InChI: InChI=1/C8H9BrN2O/c1-5-3-7(9)4-10-8(5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
(3)InChIKey: HBZDMVSJHVZHKC-UHFFFAOYAL

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