CAS No.142404-81-7,2-Acetylamino-5-bromo-3-methylpyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	142404-81-7
Name:	2-Acetylamino-5-bromo-3-methylpyridine
Article Data:	2

Formula:	C₈H₉BrN₂O
Molecular Weight:	229.07
Synonyms:	N-(5-Bromo-3-methylpyridin-2-yl)acetamide;
Density:	1.545 g/cm³
Melting Point:	111-115 °C(lit.)
Boiling Point:	357.9 °C at 760 mmHg
Flash Point:	170.2 °C
Appearance:	Colorless transparent liquid
Hazard Symbols:	Xn
Risk Codes:	22-41-43
Safety:	26-36/37/39
PSA:	41.99000
LogP:	2.18390

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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