CAS No.139042-59-4,1-(6-BROMO-PYRIDIN-3-YL)-ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139042-59-4
Name:	1-(6-BROMO-PYRIDIN-3-YL)-ETHANONE
Article Data:	9

Formula:	C₇H₆BrNO
Molecular Weight:	200.035
Synonyms:	1-(6-Bromopyridin-3-yl)ethanone;3-Acetyl-6-bromopyridine;5-Acetyl-2-bromopyridine;
EINECS:	625-249-8
Density:	1.534 g/cm³
Melting Point:	124-128 °C
Boiling Point:	291.3 °C at 760 mmHg
Flash Point:	130 °C
Appearance:	light yellow to dark yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	29.96000
LogP:	2.04670

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Specification

The 2-Bromo-5-acetylpyridine is an organic compound with the formula C₇H₆BrNO. The IUPAC name of this chemical is 1-(6-bromopyridin-3-yl)ethanone. With the CAS registry number 139042-59-4, it is also named as ethanone, 1-(2-bromo-4-pyridinyl)-. The product's category is Pyridine. In addition, this chemical is used as pharmaceutical intermediate.

The other characteristics of 2-Bromo-5-acetylpyridine can be summarized as: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.96 Å²; (9)Index of Refraction: 1.558; (10)Molar Refractivity: 42.06 cm³; (11)Molar Volume: 130.3 cm³; (12)Polarizability: 16.67×10^-24 cm³; (13)Surface Tension: 44.6 dyne/cm; (14)Enthalpy of Vaporization: 53.07 kJ/mol; (15)Vapour Pressure: 0.00196 mmHg at 25°C; (16)Rotatable Bond Count: 1; (17)Tautomer Count: 2; (18)Exact Mass: 198.963276; (19)MonoIsotopic Mass: 198.963276; (20)Topological Polar Surface Area: 30; (21)Heavy Atom Count: 10; (22)Complexity: 138.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:CC(=O)c1ccnc(c1)Br
2. InChI:InChI=1/C7H6BrNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
3. InChIKey:OCOXYYMZTJBJJN-UHFFFAOYAN
4. Std. InChI:InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
5. Std. InChIKey:OCOXYYMZTJBJJN-UHFFFAOYSA-N