Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pyridine,3-iodo-4-methyl- |
EINECS | N/A |
CAS No. | 38749-96-1 | Density | 1.81 g/cm3 |
PSA | 12.89000 | LogP | 1.99460 |
Solubility | N/A | Melting Point |
160 °C(Solv: ligroine (8032-32-4)) |
Formula | C6H6IN | Boiling Point | 240.3 °C at 760 mmHg |
Molecular Weight | 219.025 | Flash Point | 99.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Iodo-4-methylpyridine;4-Picoline,3-iodo- (6CI); |
Article Data | 6 |
The Pyridine,3-iodo-4-methyl-, with CAS registry number 38749-96-1, belongs to the following product category: Pyridine. It has the systematic name of 3-iodo-4-methylpyridine. Besides this, it is also called 4-Methyl-3-iodopyridine. And the chemical formula of this chemical is C6H6IN.
Physical properties of Pyridine,3-iodo-4-methyl-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 29.91; (6)ACD/BCF (pH 7.4): 30.61; (7)ACD/KOC (pH 5.5): 393.64; (8)ACD/KOC (pH 7.4): 402.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 42.07 cm3; (15)Molar Volume: 121 cm3; (16)Polarizability: 16.68×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.81 g/cm3; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 45.79 kJ/mol; (21)Boiling Point: 240.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0592 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccncc1I
(2)InChI: InChI=1/C6H6IN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
(3)InChIKey: SMXBHXFTAWZFAU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H6IN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
(5)Std. InChIKey: SMXBHXFTAWZFAU-UHFFFAOYSA-N