Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-1-(pyridin-4-yl)ethanone |
EINECS | 604-604-1 |
CAS No. | 6221-13-2 | Density | 1.57 g/cm3 |
PSA | 29.96000 | LogP | 1.65920 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethanone, 2-bromo-1-(4-pyridinyl)-; |
Article Data | 23 |
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