Pyridine, 5-bromo-2,3-dimethoxy- supplier

Name
5-Bromo-2,3-dimethoxypyridine
EINECS
CAS No. 52605-98-8
Article Data20
CAS DataBase
Density 1.485 g/cm³
Solubility
Melting Point
Formula C₇H₈BrNO₂
Boiling Point 222.676 °C at 760 mmHg
Molecular Weight 218.05
Flash Point 88.471 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Bromo-2, 3-dimethoxypyridine;
PSA 31.35000
LogP 1.86130

Pyridine, 5-bromo-2,3-dimethoxy- Specification

The Pyridine, 5-bromo-2, 3-dimethoxy-, with the CAS registry number 52605-98-8, is also known as 2, 3-Dimethoxy-5-bromopyridine. This chemical's molecular formula is C₇H₈BrNO₂ and molecular weight is 218.05. What's more, its systematic name is 5-Bromo-2, 3-dimethoxypyridine.

Physical properties about Pyridine, 5-bromo-2, 3-dimethoxy- are: (1)ACD/LogP: 2.30; (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): 109; (6)ACD/BCF (pH 7.4): 109; (7)ACD/KOC (pH 5.5): 1001; (8)ACD/KOC (pH 7.4): 1001; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.391 cm³; (15)Molar Volume: 146.847 cm³; (16)Polarizability: 17.995×10^-24 cm³; (17)Surface Tension: 38.277 dyne/cm; (18)Density: 1.485 g/cm³; (19)Flash Point: 88.471 °C; (20)Enthalpy of Vaporization: 44.046 kJ/mol; (21)Boiling Point: 222.676 °C at 760 mmHg; (22)Vapour Pressure: 0.149 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ncc(Br)cc1OC
(2) InChI: InChI=1/C7H8BrNO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3
(3) InChIKey: VSXDRIVAPWWONE-UHFFFAOYAS

Product Name

5-Bromo-2,3-dimethoxypyridine

Pyridine, 5-bromo-2,3-dimethoxy- Specification

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