Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Pyridinesulfonylchloride, 6-methoxy- |
EINECS | N/A |
CAS No. | 312300-42-8 | Density | 1.449 g/cm3 |
PSA | 64.64000 | LogP | 2.09850 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6ClNO3S | Boiling Point | 320.433 °C at 760 mmHg |
Molecular Weight | 207.638 | Flash Point | 147.593 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Methoxypyridine-3-sulfonylchloride;6-Methoxypyridine-3-sulphonyl chloride; |
Article Data | 11 |
The 3-Pyridinesulfonylchloride, 6-methoxy-, with the CAS registry number 312300-42-8, has the systematic name of 6-methoxypyridine-3-sulfonyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H6ClNO3S.
The characteristics of 3-Pyridinesulfonylchloride, 6-methoxy- are as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 199; (8)ACD/KOC (pH 7.4): 199; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.64 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 44.565 cm3; (15)Molar Volume: 143.315 cm3; (16)Polarizability: 17.667×10-24cm3; (17)Surface Tension: 47.558 dyne/cm; (18)Density: 1.449 g/cm3; (19)Flash Point: 147.593 °C; (20)Enthalpy of Vaporization: 53.974 kJ/mol; (21)Boiling Point: 320.433 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc(cn1)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H6ClNO3S/c1-11-6-3-2-5(4-8-6)12(7,9)10/h2-4H,1H3
(3)InChIKey: OMLIVJOTRYWHNY-UHFFFAOYAQ