2-Bromo-1-(pyridin-4-yl)ethanone supplier

Name
2-BROMO-1-PYRIDIN-4-YLETHANONE
EINECS 604-604-1
CAS No. 6221-13-2
Article Data23
CAS DataBase
Density 1.57 g/cm³
Solubility
Melting Point 185-190 °C (decomp)
Formula C₇H₆BrNO
Boiling Point 268.3 °C at 760 mmHg
Molecular Weight 200.035
Flash Point 116 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone, 2-bromo-1-(4-pyridinyl)-;
PSA 29.96000
LogP 1.65920

2-Bromo-1-(pyridin-4-yl)ethanone Specification

The 2-Bromo-1-(pyridin-4-yl)ethanone with CAS registry number of 6221-13-2 is also known as Ethanone, 2-bromo-1-(4-pyridinyl)-. The systematic name and product are the same. In addition, the formula is C₇H₆BrNO and the molecular weight is 200.03.

Physical properties about 2-Bromo-1-(pyridin-4-yl)ethanone are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96Å²; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 42.1 cm³; (9)Molar Volume: 127.3 cm³; (10)Polarizability: 16.69×10^-24cm³; (11)Surface Tension: 50 dyne/cm; (12)Density: 1.57 g/cm³; (13)Flash Point: 116 °C; (14)Enthalpy of Vaporization: 50.63 kJ/mol; (15)Boiling Point: 268.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00777 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(c1ccncc1)CBr
2. InChI: InChI=1/C7H6BrNO/c8-5-7(10)6-1-3-9-4-2-6/h1-4H,5H2
3. InChIKey: NAFCUKZZHZYPKB-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C7H6BrNO/c8-5-7(10)6-1-3-9-4-2-6/h1-4H,5H2
5. Std. InChIKey: NAFCUKZZHZYPKB-UHFFFAOYSA-N

Product Name

2-BROMO-1-PYRIDIN-4-YLETHANONE

2-Bromo-1-(pyridin-4-yl)ethanone Specification

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