2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine supplier

Name
2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine
EINECS 605-865-3
CAS No. 179687-79-7
Article Data27
CAS DataBase
Density 1.385 g/cm³
Solubility
Melting Point 125-129oC
Formula C₁₂H₉ClN₂O₃
Boiling Point 414.736 °C at 760 mmHg
Molecular Weight 264.668
Flash Point 204.625 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-4-(2-pyridinylmethoxy)-1-nitrobenzene;3-Chloro-4-(2-pyridylmethyloxy)nitrobenzene;3-Chloro-4-[(2-pyridyl)methoxy]nitrobenzene;
PSA 67.94000
LogP 3.74540

2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine Specification

The 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine, with CAS registry number 179687-79-7, has the systematic name of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine. Besides this, it is also called pyridine, 2-[(2-chloro-4-nitrophenoxy)methyl]-. And the chemical formula of this chemical is C₁₂H₉ClN₂O₃.

Physical properties about this chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 83; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 820; (8)ACD/KOC (pH 7.4): 828; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.94 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 66.951 cm³; (15)Molar Volume: 191.154 cm³; (16)Polarizability: 26.541×10^-24cm³; (17)Surface Tension: 55.435 dyne/cm; (18)Enthalpy of Vaporization: 64.179 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(OCc1ccccn1)c(Cl)c2
(2)InChI: InChI=1/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
(3)InChIKey: GWYKHOLLVPAQFF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
(5)Std. InChIKey: GWYKHOLLVPAQFF-UHFFFAOYSA-N

Product Name

2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine

2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine Specification

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