1,3-Dioxolo[4,5-b]pyridine(9CI) supplier

Name
[1,3]dioxolo[4,5-b]pyridine
EINECS
CAS No. 72138-73-9
Article Data4
CAS DataBase
Density 1.312 g/cm³
Solubility
Melting Point
Formula C₆H₅NO₂
Boiling Point 207.427 °C at 760 mmHg
Molecular Weight 123.111
Flash Point 74.813 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Methylenedioxypyridine;[1,3]dioxolo[4,5-b]pyridine;
PSA
LogP

1,3-Dioxolo[4,5-b]pyridine(9CI) Specification

The 1,3-Dioxolo[4,5-b]pyridine(9CI), with the CAS registry number 72138-73-9, has the systematic name and IUPAC name of [1,3]dioxolo[4,5-b]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₅NO₂.

The characteristics of 1,3-Dioxolo[4,5-b]pyridine(9CI) are as followings: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.023; (4)ACD/LogD (pH 7.4): 0.086; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.922; (8)ACD/KOC (pH 7.4): 26.509; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 30.505 cm³; (15)Molar Volume: 93.835 cm³; (16)Polarizability: 12.093×10^-24cm³; (17)Surface Tension: 56.081 dyne/cm; (18)Density: 1.312 g/cm³; (19)Flash Point: 74.813 °C; (20)Enthalpy of Vaporization: 42.557 kJ/mol; (21)Boiling Point: 207.427 °C at 760 mmHg; (22)Vapour Pressure: 0.324 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(nc1)OCO2
(2)InChI: InChI=1/C6H5NO2/c1-2-5-6(7-3-1)9-4-8-5/h1-3H,4H2
(3)InChIKey: YIIOTOBXQVQGSV-UHFFFAOYAO

Product Name

[1,3]dioxolo[4,5-b]pyridine

1,3-Dioxolo[4,5-b]pyridine(9CI) Specification

Related Products

Hot Products