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CAS No.: | 175135-79-2 |
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Name: | 2-(4-METHYLPHENOXY)PYRIDINE-3-CARBONYL CHLORIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H10ClNO2 |
Molecular Weight: | 247.68 |
Synonyms: | 2-(4-Methylphenoxy)pyridine-3-carbonylchloride;2-p-Tolyloxypyridine-3-carbonyl chloride; |
Density: | 1.264 g/cm3 |
Boiling Point: | 353.9 °C at 760 mmHg |
Flash Point: | 167.8 °C |
Hazard Symbols: | C |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 39.19000 |
LogP: | 3.56130 |
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This chemical is called 3-Pyridinecarbonylchloride, 2-(4-methylphenoxy)-, and its systematic name is 2-(4-methylphenoxy)pyridine-3-carbonyl chloride. With the molecular formula of C13H10ClNO2, its molecular weight is 247.68. The CAS registry number of this chemical is 175135-79-2.
Other characteristics of the 3-Pyridinecarbonylchloride, 2-(4-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.25; (6)ACD/BCF (pH 7.4): 61.25; (7)ACD/KOC (pH 5.5): 661.93; (8)ACD/KOC (pH 7.4): 661.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 65.85 cm3; (15)Molar Volume: 195.9 cm3; (16)Polarizability: 26.1×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 167.8 °C; (20)Enthalpy of Vaporization: 59.89 kJ/mol; (21)Boiling Point: 353.9 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(=O)c2cccnc2Oc1ccc(cc1)C
2.InChI: InChI=1/C13H10ClNO2/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3
3.InChIKey: CGQBNLMZQVRGLL-UHFFFAOYAH