Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Benzoyl-2-chloropyridine |
EINECS | N/A |
CAS No. | 80099-81-6 | Density | 1.26 g/cm3 |
PSA | 29.96000 | LogP | 2.96600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H8ClNO | Boiling Point | 356.8 °C at 760 mmHg |
Molecular Weight | 217.655 | Flash Point | 169.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Benzoyl-2-chloropyridine;2-Chloro-3-pyridylphenyl ketone; |
Article Data | 15 |
The 3-Benzoyl-2-chloropyridine is an organic compound with the formula C12H8ClNO. The systematic name of this chemical is (2-chloropyridin-3-yl)(phenyl)methanone. With the CAS registry number 80099-81-6, it is also named as 2-Chloro-3-pyridinyl phenyl ketone. In addition, the molecular weight is 217.65.
The other characteristics of 3-Benzoyl-2-chloropyridine can be summarized as: (1)ACD/LogP: 2.13; (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: 29.96 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 59.03 cm3; (9)Molar Volume: 172.7 cm3; (10)Polarizability: 23.4×10-24 cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 169.6 °C; (14)Enthalpy of Vaporization: 60.21 kJ/mol; (15)Boiling Point: 356.8 °C at 760 mmHg; (16)Vapour Pressure: 2.85E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1cccnc1Cl)c2ccccc2
2. InChI:InChI=1/C12H8ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H
3. InChIKey:KKJGMDXUAOTRBW-UHFFFAOYAH
4. Std. InChI:InChI=1S/C12H8ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H
5. Std. InChIKey:KKJGMDXUAOTRBW-UHFFFAOYSA-N