3-Benzoyl-2-chloropyridine supplier

Name
3-BENZOYL-2-CHLOROPYRIDINE
EINECS
CAS No. 80099-81-6
Article Data15
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₁₂H₈ClNO
Boiling Point 356.8 °C at 760 mmHg
Molecular Weight 217.655
Flash Point 169.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Benzoyl-2-chloropyridine;2-Chloro-3-pyridylphenyl ketone;
PSA 29.96000
LogP 2.96600

3-Benzoyl-2-chloropyridine Specification

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

Product Name

3-BENZOYL-2-CHLOROPYRIDINE

3-Benzoyl-2-chloropyridine Specification

Related Products

Hot Products