3-Pyridinecarbonylchloride, 2-(4-methylphenoxy)- supplier

Name
2-(4-METHYLPHENOXY)PYRIDINE-3-CARBONYL CHLORIDE
EINECS
CAS No. 175135-79-2
Article Data1
CAS DataBase
Density 1.264 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀ClNO₂
Boiling Point 353.9 °C at 760 mmHg
Molecular Weight 247.68
Flash Point 167.8 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms 2-(4-Methylphenoxy)pyridine-3-carbonylchloride;2-p-Tolyloxypyridine-3-carbonyl chloride;
PSA 39.19000
LogP 3.56130

3-Pyridinecarbonylchloride, 2-(4-methylphenoxy)- Specification

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

Product Name

2-(4-METHYLPHENOXY)PYRIDINE-3-CARBONYL CHLORIDE

3-Pyridinecarbonylchloride, 2-(4-methylphenoxy)- Specification

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