Pyridine,3-bromo-4-methoxy- supplier

Name
3-BROMO-4-METHOXY-PYRIDINE
EINECS
CAS No. 82257-09-8
Article Data5
CAS DataBase
Density 1.53 g/cm³
Solubility Slightly soluble in water (9.8 g/L).
Melting Point
Formula C₆H₆BrNO
Boiling Point 214.5 °C at 760 mmHg
Molecular Weight 188.024
Flash Point 83.5 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Bromo-4-methoxypyridine;pyridine, 3-bromo-4-methoxy-;
PSA 22.12000
LogP 1.85270

Pyridine,3-bromo-4-methoxy- Specification

The Pyridine,3-bromo-4-methoxy-, with the CAS registry number 82257-09-8, has the systematic name of 3-bromo-4-methoxypyridine. It belongs to the product category of Pyridine . And the molecular formula of the chemical is C₆H₆BrNO.

The characteristics of Pyridine,3-bromo-4-methoxy- are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 14.35; (7)ACD/KOC (pH 5.5): 223.47; (8)ACD/KOC (pH 7.4): 234.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 38.71 cm³; (15)Molar Volume: 122.8 cm³; (16)Polarizability: 15.34×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 83.5 °C; (20)Enthalpy of Vaporization: 43.24 kJ/mol; (21)Boiling Point: 214.5 °C at 760 mmHg; (22)Vapour Pressure: 0.227 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(OC)ccnc1
(2)InChI: InChI=1/C6H6BrNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
(3)InChIKey: DSFJKFHIMBVWAV-UHFFFAOYAT

Product Name

3-BROMO-4-METHOXY-PYRIDINE

Pyridine,3-bromo-4-methoxy- Specification

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